Register      Login
Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Putting David Craig’s Legacy to Work in Nanotechnology and Biotechnology*

Jeffrey R. Reimers
+ Author Affiliations
- Author Affiliations

International Centre for Quantum and Molecular Structures, College of Sciences, Shanghai University, Shanghai 200444, China, and School of Mathematical and Physical Sciences, The University of Technology Sydney, Sydney, NSW 2007, Australia. Email: jeffrey.reimers@uts.edu.au

Australian Journal of Chemistry 69(12) 1331-1359 https://doi.org/10.1071/CH16489
Submitted: 27 August 2016  Accepted: 7 October 2016   Published: 4 November 2016

Abstract

David Craig (1919–2015) left us with a lasting legacy concerning basic understanding of chemical spectroscopy and bonding. This is expressed in terms of some of the recent achievements of my own research career, with a focus on integration of Craig’s theories with those of Noel Hush to solve fundamental problems in photosynthesis, molecular electronics (particularly in regard to the molecules synthesized by Maxwell Crossley), and self-assembled monolayer structure and function. Reviewed in particular is the relation of Craig’s legacy to: the 50-year struggle to assign the visible absorption spectrum of arguably the world’s most significant chromophore, chlorophyll; general theories for chemical bonding and structure extending Hush’s adiabatic theory of electron-transfer processes; inelastic electron-tunnelling spectroscopy (IETS); chemical quantum entanglement and the Penrose–Hameroff model for quantum consciousness; synthetic design strategies for NMR quantum computing; Gibbs free-energy measurements and calculations for formation and polymorphism of organic self-assembled monolayers on graphite surfaces from organic solution; and understanding the basic chemical processes involved in the formation of gold surfaces and nanoparticles protected by sulfur-bound ligands, ligands whose form is that of Au0-thiyl rather than its commonly believed AuI-thiolate tautomer.


References

[1]  https://en.wikipedia.org/wiki/David_P._Craig. Accessed 23 October 2016.

[2]  https://www.science.org.au/learning/general-audience/history/interviews-australian-scientists/professor-david-craig-1919-2015. Accessed 23 October 2016.

[3]  http://www.iaqms.org/members/craig.php. Accessed 23 October 2016.

[4]  http://chemistry.anu.edu.au/about-us/history. Accessed 23 October 2016.

[5]  https://www.science.org.au/news-and-events/news-and-media-releases/vale-former-academy-president-david-craig. Accessed 23 October 2016.

[6]  G. Fischer, R. G. Gilbert, Hist. Rec. Aust. Sci. 2009, 20, 91.
         | Crossref | GoogleScholarGoogle Scholar |

[7]  http://academic.research.microsoft.com/Author/53681842/gad-fischer. Accessed 23 October 2016.

[8]  https://www.science.org.au/opportunities-scientists/recognition/honorific-awards/career-awards/david-craig-medal. Accessed 23 October 2016.

[9]  V. Fock, Z. Phys. 1930, 62, 795.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaA3cXkvVehsA%3D%3D&md5=092e37fd81607632dd65efa86f12dfe1CAS |

[10]  M. Born, R. Oppenheimer, Ann. Phys. 1927, 389, 457.
         | Crossref | GoogleScholarGoogle Scholar |

[11]  E. U. Condon, Phys. Rev. 1928, 32, 858.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaB1MXit1CisQ%3D%3D&md5=501ff5098c2553229e7413f89a9962d5CAS |

[12]  G. Herzberg, E. Teller, Z. Phys. Chem. 1933, 21, 410.

[13]  R. G. Parr, D. P. Craig, I. G. Ross, J. Chem. Phys. 1950, 18, 1561.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3MXjsV2rtQ%3D%3D&md5=5fae7d574a5bd63f1f90d89f1f9cab96CAS |

[14]  D. P. Craig, J. Chem. Soc. 1950, 2146.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3MXlsF2h&md5=d770ca99664399c542285a4a7f6da26cCAS |

[15]  D. P. Craig, J. Chem. Soc. 1950, 59.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3cXis1Omsw%3D%3D&md5=fff71f6e39167a9150cd78c3fd6ecb65CAS |

[16]  M. A. Nielsen, I. L. Chuang, Quantum Computation and Quantum Information 2000 (Cambridge University Press: New York, NY).

[17]  J. R. Reimers, R. O. Watts, M. L. Klein, Chem. Phys. 1982, 64, 95.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL38XptF2ltA%3D%3D&md5=6c55d4f9758b804eda5d51d31d5cc92cCAS |

[18]  J. R. Reimers, R. O. Watts, Chem. Phys. 1984, 85, 83.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2cXhsVGgsLc%3D&md5=5f8db2c702504f856cfcd6bcbdb5a6a2CAS |

[19]  J. R. Reimers, R. O. Watts, Mol. Phys. 1984, 52, 357.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2cXks1SnsLY%3D&md5=6160a2e3e00665e69afb33c27c105a8bCAS |

[20]  J. R. Reimers, R. O. Watts, Chem. Phys. 1984, 91, 201.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2MXltFWmsw%3D%3D&md5=2a741974aaf33c92127937277ecb2598CAS |

[21]  J. R. Reimers, K. R. Wilson, E. J. Heller, J. Chem. Phys. 1983, 79, 4749.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL3sXmt1Wmsbo%3D&md5=63e40acee026e4c07eeecd75cf492cfdCAS |

[22]  J. P. Bergsma, J. R. Reimers, K. R. Wilson, J. T. Hynes, J. Chem. Phys. 1986, 85, 5625.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2sXpslGq&md5=b74b61fe966d44b12b0564e1e8627b4cCAS |

[23]  E. J. Heller, J. R. Reimers, G. Drolshagen, Phys. Rev. A 1987, 36, 2613.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2sXmtVGntb0%3D&md5=70cdb4828d23aebb3e5a374015e29bf3CAS |

[24]  J. R. Reimers, E. J. Heller, J. Phys. Chem. 1988, 92, 3225.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL1cXit1Ojsbc%3D&md5=ccf2f39c26cd70fe66aee7c96966e35bCAS |

[25]  http://academic.research.microsoft.com/Author/24242960/robert-o-watts. Accessed 23 October 2016.

[26]  http://ucsdnews.ucsd.edu/archive/newsrel/science/mcwilson.htm. Accessed 23 October 2016.

[27]  https://en.wikipedia.org/wiki/Eric_J._Heller. Accessed 23 October 2016.

[28]  https://en.wikipedia.org/wiki/Noel_Hush. Accessed 23 October 2016.

[29]  http://academic.research.microsoft.com/Author/18374060/maxwell-j-crossley. Accessed 23 October 2016.

[30]  S. B. Piepho, E. R. Krausz, P. N. Schatz, J. Am. Chem. Soc. 1978, 100, 2996.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE1cXktFCgt74%3D&md5=71830163a6519b504098cebcbeaf12b8CAS |

[31]  R. L. Fulton, M. Gouterman, J. Chem. Phys. 1961, 35, 1059.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF38Xkt1enug%3D%3D&md5=7e632994a62a2c8198de849225cbf00fCAS |

[32]  N. S. Hush, Prog. Inorg. Chem. 1967, 8, 391.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF1cXhtVSjsbY%3D&md5=ac192973eb8ec1da596eef8eedf3072eCAS |

[33]  D. P. Craig, J. Chem. Phys. 1950, 18, 236.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3cXis1Omsg%3D%3D&md5=7208092d0aff3c75c73abd411c980378CAS |

[34]  C. W. L. Bevan, D. P. Craig, Trans. Faraday Soc. 1951, 47, 564.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3MXlvFWisw%3D%3D&md5=686b9930de5fba08c3fbc0bf1146492bCAS |

[35]  D. P. Craig, L. E. Lyons, Nature 1952, 169, 1102.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG38XlvFOnuw%3D%3D&md5=2f8196c4d27eb63e4dc6054ddce79ebcCAS |

[36]  D. P. Craig, Nature 1946, 158, 235.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaH28Xjt1Oqsw%3D%3D&md5=39eed99c9b755b32900e2a09921798d3CAS |

[37]  D. P. Craig, J. Chem. Phys. 1949, 17, 1358.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3cXis1CltQ%3D%3D&md5=a4989cd41a97a5584210a6fe22eba478CAS |

[38]  D. P. Craig, L. E. Lyons, J. Chem. Phys. 1952, 20, 1499.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG38XmsFCnsA%3D%3D&md5=e4bf54219d6738228b1bee2494a313f9CAS |

[39]  D. P. Craig, P. C. Hobbins, Nature 1953, 171, 566.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3sXktlOjtA%3D%3D&md5=0778e617bcbd483e34ce08d76e09c86fCAS |

[40]  D. P. Craig, N. L. Paddock, Nature 1958, 181, 1052.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG1cXhtVeksbY%3D&md5=d541cf5ff2744ce8a6f4c146ec3c3ae7CAS |

[41]  D. P. Craig, J. Chem. Phys. 1948, 16, 158.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaH1cXhs1yqtw%3D%3D&md5=6cd5dc58550896aee76c65b11181ecd8CAS |

[42]  D. P. Craig, A. Maccoll, Nature 1948, 161, 481.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaH1cXitV2lsA%3D%3D&md5=1037bed005ec8ef9fea1bcc70abb05aeCAS | 18933225PubMed |

[43]  D. P. Craig, A. Maccoll, J. Chem. Soc. (Resumed) 1949, 964.
         | Crossref | GoogleScholarGoogle Scholar |

[44]  D. P. Craig, J. R. Walsh, J. Chem. Phys. 1956, 25, 588.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG2sXlslM%3D&md5=09a24208147dee2cd11d623eb07119a3CAS |

[45]  D. P. Craig, J. R. Walsh, J. Chem. Phys. 1956, 24, 471.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG28XjtFSmug%3D%3D&md5=93d5926d9038b05b6c52e60a538929a6CAS |

[46]  D. P. Craig, J. R. Walsh, J. Chem. Soc. (Resumed) 1958, 1613.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG1cXotV2juw%3D%3D&md5=0b2b31b9a8274cb8b54f3752eb7f847eCAS |

[47]  J. R. Reimers, Z.-L. Cai, R. Kobayashi, M. Rätsep, A. Freiberg, E. Krausz, Sci. Rep. 2013, 3, 2761.
         | Crossref | GoogleScholarGoogle Scholar | 24067303PubMed |

[48]  G. D. Scholes, G. R. Fleming, A. Olaya-Castro, R. van Grondelle, Nat. Chem. 2011, 3, 763.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXht1ajurzF&md5=a6037749fddd54f4d23ecf0354684ae8CAS | 21941248PubMed |

[49]  R. E. Blankenship, Molecular Mechanisms of Photosynthesis (2nd edn) 2014 (Wiley-Blackwell: Oxford).

[50]  J. R. Reimers, M. Biczysko, D. Bruce, D. F. Coker, T. J. Frankcombe, H. Hashimoto, J. Hauer, R. Jankowiak, T. Kramer, J. Linnanto, F. Mamedov, F. Müh, M. Rätsep, T. Renger, S. Styring, J. Wan, Z. Wang, Z.-Y. Wang-Otomo, Y.-X. Weng, C. Yang, J.-P. Zhang, A. Freiberg, E. Krausz, Biochim. Biophys. Acta, Bioenerg. 2016, 1857, 1627.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28XhtFSgt7bJ&md5=43e5111f62210668dd98eccf8f9cb4f3CAS |

[51]  M. Gouterman, G. H. Wagnière, L. C. Snyder, J. Mol. Spectrosc. 1963, 11, 108.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF3sXkslaltLg%3D&md5=3480e38f93a630d8603a4f8d44891404CAS |

[52]  R. L. Fulton, M. Gouterman, J. Chem. Phys. 1964, 41, 2280.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF2cXkslektLs%3D&md5=2102a9e662e4fa1b35631517f4febc96CAS |

[53]  M. Gouterman, in The Porphyrins (Ed. D. Dolphin) 1978, Ch. 1, pp. 1–165 (Academic Press: New York, NY).

[54]  M. Gouterman, J. Chem. Phys. 1965, 42, 351.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF2MXhvFKrug%3D%3D&md5=573bb76268bf55e3313d035dd02334c3CAS |

[55]  I. G. Ross, Isr. J. Chem. 1975, 14, 118.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE28Xhsl2gu7o%3D&md5=08b76ae33cfcd8131a6585ef8bd1f55dCAS |

[56]  G. Fischer, Vibronic Coupling 1984 (Academic Press: London).

[57]  G. Fischer, J. R. Reimers, I. G. Ross, Chem. Phys. 1981, 62, 187.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL38Xis1GgtQ%3D%3D&md5=0ea04cd4d2b92be940ebecf54405cf6eCAS |

[58]  P. J. Chappell, G. Fischer, J. R. Reimers, I. G. Ross, J. Mol. Spectrosc. 1981, 87, 316.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL3MXksFWrt7c%3D&md5=dab55ec13d0b000a60bf56efd44c4d87CAS |

[59]  K. K. Rebane, R. A. Avarmaa, Chem. Phys. 1982, 68, 191.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL38Xks1ems70%3D&md5=02142b56e85d4fd6d19e312a0751f2e3CAS |

[60]  R. A. Avarmaa, A. Suisalu, Opt. Spectrosc. 1984, 56, 54.

[61]  R. A. Avarmaa, K. K. Rebane, Spectrochim. Acta A 1985, 41, 1365.
         | Crossref | GoogleScholarGoogle Scholar |

[62]  I. Renge, K. Mauring, P. Sarv, R. Avarmaa, J. Phys. Chem. 1986, 90, 6611.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL28XmtVKns7s%3D&md5=6d537f3144645e6b5ad933b0ec2c273bCAS |

[63]  M. Umetsu, Z.-Y. Wang, M. Kobayashi, T. Nozawa, Biochim. Biophys. Acta, Bioenerg. 1999, 1410, 19.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXht1KmsLs%3D&md5=fa288aa738276e0eee82ff994a15c541CAS |

[64]  M. Rätsep, J. Linnanto, A. Freiberg, J. Chem. Phys. 2009, 130, 194501.
         | Crossref | GoogleScholarGoogle Scholar | 19466837PubMed |

[65]  Y. Nonomura, S. Igarashi, N. Yoshioka, H. Inoue, Chem. Phys. 1997, 220, 155.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2sXkt1Sit74%3D&md5=37eaf9ae5bdb2c02a0eb9059a28bfe3bCAS |

[66]  M. Helfrich, B. Bommer, U. Oster, H. Klement, K. Mayer, A. W. D. Larkum, W. Rüdiger, Biochim. Biophys. Acta, Bioenerg. 2003, 1605, 97.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXlvFyit7o%3D&md5=5784506a0197521cd513a3f08d1a44a6CAS |

[67]  J. L. Hughes, B. Conlon, T. Wydrzynski, E. Krausz, Phys. Procedia 2010, 3, 1591.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXisl2lsbo%3D&md5=3ea51acf401c228c5c02309cda643df7CAS |

[68]  S. Yin, M. G. Dahlbom, P. J. Canfield, N. S. Hush, R. Kobayashi, J. R. Reimers, J. Phys. Chem. B 2007, 111, 9923.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXotlOjtLs%3D&md5=7b1f2b8265e194f2c93433e12886b5eaCAS | 17672486PubMed |

[69]  M. Fragata, B. Norden, T. Kurucsev, Photochem. Photobiol. 1988, 47, 133.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL1cXnt1ertA%3D%3D&md5=87380b52a3f22d4b5f5c9a1e4ca26023CAS |

[70]  M. Umetsu, Z.-Y. Wang, T. Nozawa, Recent Res. Dev. Phys. Chem. 2001, 5, 185.
         | 1:CAS:528:DC%2BD38XivFyiu7k%3D&md5=274b87d0a1a06ce67606dfc7182cd72aCAS |

[71]  M. Umetsu, Z.-Y. Wang, K. Yoza, M. Kobayashi, T. Nozawa, Biochim. Biophys. Acta, Bioenerg. 2000, 1457, 106.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXisFKisrw%3D&md5=affe26a09de9d9b483d89c84f0dc13c8CAS |

[72]  D. Sundholm, Chem. Phys. Lett. 1999, 302, 480.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXhvV2gtLs%3D&md5=6eba87049e02fed68971612b5adadc6fCAS |

[73]  D. Sundholm, Chem. Phys. Lett. 2000, 317, 545.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXhtFahtrs%3D&md5=66b511e45b70b01e109d8b46e0329c14CAS |

[74]  J. D. Bene, H. H. Jaffè, J. Chem. Phys. 1968, 48, 1807.
         | Crossref | GoogleScholarGoogle Scholar |

[75]  M. C. Zerner, G. H. Loew, R. F. Kirchner, U. T. Mueller-Westerhof, J. Am. Chem. Soc. 1980, 102, 589.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL3cXosFSkug%3D%3D&md5=e0eda80a485a8cde7a227fb5854fb516CAS |

[76]  J. Zeng, N. S. Hush, J. R. Reimers, J. Am. Chem. Soc. 1996, 118, 2059.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28XovFGjtA%3D%3D&md5=38b896df83c13ab24ca97075071b5a4bCAS |

[77]  J. Zeng, N. S. Hush, J. R. Reimers, J. Phys. Chem. 1996, 100, 19292.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28XntVWmt78%3D&md5=cff565ba062514c7c44857bba7a494e7CAS |

[78]  N. S. Hush, J. R. Reimers, Coord. Chem. Rev. 1998, 177, 37.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXjtV2qsw%3D%3D&md5=8f8b18d737a2a40245e943e20808e2d0CAS |

[79]  N. S. Hush, J. R. Reimers, Chem. Rev. 2000, 100, 775.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXms1Gn&md5=6669a15dc323ce5fe93e5339cea203eaCAS | 11749250PubMed |

[80]  J. R. Reimers, N. S. Hush, J. Phys. Chem. B 2001, 105, 8979.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3MXlslyqu7c%3D&md5=94fe1125997899696964f1bd2a29accdCAS |

[81]  G. C. Solomon, J. R. Reimers, N. S. Hush, J. Chem. Phys. 2004, 121, 6615.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXotVKms74%3D&md5=7eef4ab949e7b13a11bb5a5616b2cc0cCAS | 15473716PubMed |

[82]  B. Tejerina, J. Reimers, nanoHUB 2008. Available at www.nanohub.org. Accessed 23 October 2016.

[83]  R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 1996, 256, 454.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28XksFWltrs%3D&md5=ce3afb1a4b786d601824ba48f4430c9eCAS |

[84]  J. R. Reimers, Z.-L. Cai, A. Bilic, N. S. Hush, Ann. N. Y. Acad. Sci. 2003, 1006, 235.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXpvVaquw%3D%3D&md5=3f136935e7d10432d047ed0d92eb6b69CAS | 14976022PubMed |

[85]  Z.-L. Cai, J. R. Reimers, J. Chem. Phys. 2000, 112, 527.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXit12quw%3D%3D&md5=2e0f6ca184092d05309818cae96aaa12CAS |

[86]  Z.-L. Cai, D. J. Tozer, J. R. Reimers, J. Chem. Phys. 2000, 113, 7084.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXnsFSrtrY%3D&md5=1fd39166b879760cd91679d9f0865d6aCAS |

[87]  Z.-L. Cai, K. Sendt, J. R. Reimers, J. Chem. Phys. 2002, 117, 5543.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD38XmvVSgsr8%3D&md5=ea9f56607cb330c57ed9ad13ff057f14CAS |

[88]  M. G. Dahlbom, J. R. Reimers, Mol. Phys. 2005, 103, 1057.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXjsF2mtrc%3D&md5=70c6642cd5c92143d621b3b55db27051CAS |

[89]  T. Yanai, D. P. Tew, N. C. Handy, Chem. Phys. Lett. 2004, 393, 51.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXlsFKgtbs%3D&md5=b62eb59c694a178aa43858fe34ac9f1eCAS |

[90]  R. Kobayashi, R. D. Amos, Chem. Phys. Lett. 2006, 420, 106.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28Xhslyqs7s%3D&md5=4978b043cf893a5d569851edabcf17bbCAS |

[91]  Z.-L. Cai, M. J. Crossley, J. R. Reimers, R. Kobayashi, R. D. Amos, J. Phys. Chem. B 2006, 110, 15624.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XmvFWhtr4%3D&md5=1d6c83386d5e710cfffb8b8a1b05a75fCAS | 16884287PubMed |

[92]  P. Canfield, M. G. Dahlbom, J. R. Reimers, N. S. Hush, J. Chem. Phys. 2006, 124, 024301.
         | Crossref | GoogleScholarGoogle Scholar | 16422577PubMed |

[93]  M. Rätsep, Z.-L. Cai, J. R. Reimers, A. Freiberg, J. Chem. Phys. 2011, 134, 024506.
         | Crossref | GoogleScholarGoogle Scholar | 21241119PubMed |

[94]  J. R. Reimers, Z.-L. Cai, R. Kobayashi, M. Rätsep, A. Freiberg, E. Krausz, AIP Conf. Proc. 2014, 1618, 18.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXhslartL%2FO&md5=8eb46df6bee003a980de71985431f878CAS |

[95]  J. R. Reimers, E. Krausz, Phys. Chem. Chem. Phys. 2014, 16, 2315.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXlvF2itA%3D%3D&md5=94fcd118d3314637957dc8f5d4e07dcfCAS | 24346310PubMed |

[96]  J. R. Reimers, R. O. Watts, Chem. Phys. Lett. 1983, 94, 222.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL3sXotVyhtw%3D%3D&md5=62076375428e831bfc8aad288244f698CAS |

[97]  J. R. Reimers, K. R. Wilson, E. J. Heller, S. R. Langhoff, J. Chem. Phys. 1985, 82, 5064.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2MXkt12gs7c%3D&md5=21e27d28cebd3f02c554c7c3ea00f5c7CAS |

[98]  http://science.nasa.gov/missions/galileo/. Accessed 23 October 2016.

[99]  J. R. Reimers, N. S. Hush, J. Am. Chem. Soc. 2004, 126, 4132.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXitValsr0%3D&md5=ea3d6c98858b9c9c4d36a8fdb83c0c93CAS | 15053603PubMed |

[100]  J. R. Reimers, N. S. Hush, J. Chem. Phys. 2003, 119, 3262.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXlvVWksrc%3D&md5=6ca509d429e19ccac39ed449b671f818CAS |

[101]  J. R. Reimers, J. M. Hughes, N. S. Hush, Biochemistry 2000, 39, 16185.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXotl2ns7w%3D&md5=fc4a0d2d6ca48a30fab01a9cecb6bd03CAS | 11123947PubMed |

[102]  O. Kanchanawong, M. G. Dahlbom, T. P. Treynor, J. R. Reimers, N. S. Hush, S. G. Boxer, J. Phys. Chem. B 2006, 110, 18688.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28Xoslyjs7s%3D&md5=eca7f013f3bf65150f583777bc0b48ebCAS |

[103]  J. Breton, E. Nabedryk, W. W. Parson, Biochemistry 1992, 31, 7503.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK38XltVygtb4%3D&md5=6fb97be3703473ef1db0220ef954e490CAS | 1510937PubMed |

[104]  J. R. Reimers, N. S. Hush, J. Am. Chem. Soc. 1995, 117, 1302.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2MXjtF2qsLo%3D&md5=0e5854c172f5c9204e15d17d5ceb74ceCAS |

[105]  J. R. Reimers, W. A. Shapley, N. S. Hush, J. Chem. Phys. 2003, 119, 3240.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXlvVWksrk%3D&md5=81d383605cad3fcbd831cbca990ab563CAS |

[106]  J. M. Hughes, M. C. Hutter, J. R. Reimers, N. S. Hush, J. Am. Chem. Soc. 2001, 123, 8550.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3MXlslCktrc%3D&md5=b155d14787f1663b6260009a8df2cb7dCAS | 11525663PubMed |

[107]  J. R. Reimers, N. S. Hush, Chem. Phys. 1996, 208, 177.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28Xkt12rsbg%3D&md5=0a707da2216335e60df4f76b901998d8CAS |

[108]  J. R. Reimers, N. S. Hush, Chem. Phys. 2004, 299, 79.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXhslWhtbk%3D&md5=9916f2edd5300e6dcb17ce5a0a619808CAS |

[109]  J. R. Reimers, Z.-L. Cai, R. Kobayashi, M. Rätsep, A. Freiberg, E. Krausz, Phys. Chem. Chem. Phys. 2014, 16, 2323.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXlvF2itw%3D%3D&md5=a84cd90a87de143d713c80ffe4e95b11CAS | 24352346PubMed |

[110]  R. Kobayashi, J. R. Reimers, Mol. Phys. 2015, 16, 928.

[111]  F. London, Z. Phys. 1928, 46, 455.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaB1cXhtlSmsA%3D%3D&md5=ccc05298dc2819f0c34ccf9bc9c14d67CAS |

[112]  H. Eyring, M. Polanyi, Z. Phys. Chem. Abt. B 1931, 12, 279.
         | 1:CAS:528:DyaA3MXjtF2msw%3D%3D&md5=92ceecf97f9b3179c4fc69a2b271edbdCAS |

[113]  M. G. Evans, M. Polanyi, Trans. Faraday Soc. 1938, 34, 11.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaA1cXitVWisg%3D%3D&md5=b35fc37261d53efd1dbb7a1fb60c4489CAS |

[114]  J. Horiuti, M. Polanyi, J. Mol. Catalysis A 2003, 199, 185. [translation of Acta Physicochimica U.R.S.S. 1935, 2, 505].
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXjsVGmu7w%3D&md5=137674abb3619afb54736c72c8c0a8adCAS |

[115]  F. T. Wall, G. Glockler, J. Chem. Phys. 1937, 5, 314.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaA2sXjt1KntA%3D%3D&md5=fd1f34e9a05e16a62608c72e77554cd6CAS |

[116]  N. S. Hush, J. Polym. Sci., Polym. Phys. Ed. 1953, 11, 289.
         | 1:CAS:528:DyaG2cXitVyltA%3D%3D&md5=b4ff1d508461ed9390348a753d9ac661CAS |

[117]  F. London, Z. Phys. 1932, 74, 143.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaA38XjtVWqtg%3D%3D&md5=bbb3a22c036ba106ef579dcd5fa54ad7CAS |

[118]  C.-H. Yang, C.-P. Hsu, J. Chem. Phys. 2013, 139, 154104.
         | Crossref | GoogleScholarGoogle Scholar | 24160497PubMed |

[119]  C. Butchosa, S. Simon, L. Blancafort, A. Voityuk, Phys. Chem. Chem. Phys. 2014, 16, 17154.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXhtVOnurvN&md5=9b3ae3661c8ba9c16b280a010e383ff5CAS | 25010229PubMed |

[120]  A. A. Voityuk, Phys. Chem. Chem. Phys. 2012, 14, 13789.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC38Xhtl2ru7fI&md5=acfa89b0383af703881e87a4b10c2e8fCAS | 22513425PubMed |

[121]  S. Hammes-Schiffer, Energy Environ. Sci. 2012, 5, 7696.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC38XptVWrsLs%3D&md5=675e463803e074ec1fe8eec76ff276bbCAS |

[122]  R. A. Marcus, N. Sutin, Biochim. Biophys. Acta 1985, 811, 265.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2MXltFygs78%3D&md5=b2ad270dfef9603bb5bee958d43dfc8cCAS |

[123]  M. K. Johnson, R. B. King, D. M. Kurtz Jr, C. Kutal, M. L. Norton, R. A. Scott, Electron Transfer in Biology and the Solid State 1989 (American Chemical Society: Washington DC).

[124]  A. A. Kornyshev, M. Tosi, J. Ulstrup, Electron and Ion Transfer in Condensed Media 1997 (World Scientific: Singapore).

[125]  S. Isied, Electron Transfer Reactions 1997 (American Chemical Society: Washington DC).

[126]  A. Kutnetsov, J. Ulstrup, Electron Transfer in Chemistry and Biology 1999 (Wiley: Hoboken, NJ).

[127]  V. Balzani, Electron Transfer in Chemistry. Principles, Theories, Methods and Techniques 2001 (Wiley-VCH: Hoboken, NJ).

[128]  A. Nitzan, Annu. Rev. Phys. Chem. 2001, 52, 681.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3MXksFKlsLk%3D&md5=e5b00322dfdc91b4310c9400d58e0e9dCAS | 11326078PubMed |

[129]  D. M. Guldi, Chem. Soc. Rev. 2002, 31, 22.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD38Xhslenuro%3D&md5=674029cfceafe75b8085974a564abc1dCAS | 12108980PubMed |

[130]  T. W. Marin, B. J. Homoelle, K. G. Spears, J. T. Hupp, L. O. Spreer, J. Phys. Chem. A 2002, 106, 1131.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD38Xns1KltQ%3D%3D&md5=ae6a24c530f578c5230b14273139653aCAS |

[131]  E. A. Plummer, J. I. Zink, Inorg. Chem. 2006, 45, 6556.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XnsFemu78%3D&md5=dd39a2c773c594c53f6b660717a0afefCAS | 16903698PubMed |

[132]  S. F. Nelsen, Adv. Phys. Org. Chem. 2006, 41, 183.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXmslOjsL8%3D&md5=0834fdab711db40e0a38d7f730dbf053CAS |

[133]  V. Coropceanu, J. Cornil, D. A. da Silva Filho, Y. Olivier, R. Silbey, J. L. Brédas, Chem. Rev. 2007, 107, 926.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXjt1ymsb8%3D&md5=9b42f711f56d28ec98b3ab95b75d96daCAS | 17378615PubMed |

[134]  A. P. Hines, C. M. Dawson, R. H. McKenzie, G. J. Milburn, Phys. Rev. A 2004, 70, 022303.
         | Crossref | GoogleScholarGoogle Scholar |

[135]  L. K. McKemmish, R. H. McKenzie, N. S. Hush, J. R. Reimers, J. Chem. Phys. 2011, 135, 244110.
         | Crossref | GoogleScholarGoogle Scholar | 22225147PubMed |

[136]  Z. Vager, Chem. Phys. Lett. 1997, 273, 407.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2sXkslaqsbY%3D&md5=44e5de6ee794ed492a03407140f2cbaeCAS |

[137]  J. Trost, K. Hornberger, Phys. Rev. Lett. 2009, 103, 023202.
         | Crossref | GoogleScholarGoogle Scholar | 19659202PubMed |

[138]  J. C. Polanyi, A. H. Zewail, Acc. Chem. Res. 1995, 28, 119.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2MXjvFOkt7g%3D&md5=a2255fd3024e41940f2b1de73a8f1329CAS |

[139]  I. B. Bersuker, Chem. Rev. 2001, 101, 1067.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3MXhslagsLY%3D&md5=72325426a68c44c31c86e7700007e2b8CAS | 11709858PubMed |

[140]  I. B. Bersuker, Chem. Rev. 2013, 113, 1351.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXms1yisg%3D%3D&md5=43d4ff3a7a6b0531728afbf83fbebdaeCAS | 23301718PubMed |

[141]  J. Ma, X. Zhu, H. Guo, D. R. Yarkony, J. Chem. Phys. 2012, 137, 22A541.
         | 23249078PubMed |

[142]  X. Xu, K. R. Yang, D. G. Truhlar, J. Chem. Theory Comput. 2013, 9, 3612.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXpsVOnu7w%3D&md5=a10f04ff3b18bba1eaa36f4510269118CAS | 26584115PubMed |

[143]  X. Zhu, D. R. Yarkony, J. Chem. Phys. 2014, 140, 024112.
         | Crossref | GoogleScholarGoogle Scholar | 24437870PubMed |

[144]  J. Dillon, D. R. Yarkony, J. Phys. Chem. A 2013, 117, 7344.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXmt1emt78%3D&md5=3daecc7df2afdfcc8ad46b7d8d40fbc3CAS | 23600519PubMed |

[145]  K. R. Yang, X. Xu, J. Zheng, D. G. Truhlar, Chem. Sci. 2014, 5, 4661.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXht1yltLzJ&md5=0769b35fbb2d47dc088d36b641bbca7cCAS |

[146]  L. Zhou, B. Jiang, D. Xie, H. Guo, J. Phys. Chem. A 2013, 117, 6940.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC38XhslOls7jF&md5=4509941c224e5dcc109bc5b1c5f261c4CAS | 23210666PubMed |

[147]  C. Xie, J. Ma, X. Zhu, D. H. Zhang, D. R. Yarkony, D. Xie, H. Guo, J. Phys. Chem. Lett. 2014, 5, 1055.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXjvFSjtLs%3D&md5=ab8aaa29bccd3ba51fe9869fd60f87b8CAS | 26274448PubMed |

[148]  W. Eisfeld, O. Vieuxmaire, A. Viel, J. Chem. Phys. 2014, 140, 224109.
         | Crossref | GoogleScholarGoogle Scholar | 24929376PubMed |

[149]  P. Politzer, J. R. Reimers, J. S. Murray, A. Toro-Labbe, J. Phys. Chem. Lett. 2010, 1, 2858.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXhtFGhsbvM&md5=ec593f245d85680c1c90c9ecfcd44fccCAS |

[150]  S. Zilberg, Y. Haas, D. Danovich, S. Shaik, Angew. Chem. Int. Ed. 1998, 37, 1394.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1cXjvFGjt74%3D&md5=571ebade13d549b371e3b129002cb156CAS |

[151]  S. Shaik, S. Zilberg, Y. Haas, Acc. Chem. Res. 1996, 29, 211.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28XisVymurc%3D&md5=912d198965ddebc356b918ac59f36421CAS |

[152]  S. Shaik, A. Shurki, D. Danovich, P. C. Hiberty, J. Am. Chem. Soc. 1996, 118, 666.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28XitFSmuw%3D%3D&md5=23d7aa76e11ab67329af06f8da0c47d7CAS |

[153]  S. Shaik, A. Shurki, D. Danovich, P. C. Hiberty, Chem. Rev. 2001, 101, 1501.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3MXis1Sqtrc%3D&md5=227be37398d52e172619dc2aa2a38aedCAS | 11710231PubMed |

[154]  S. Zilberg, Y. Haas, J. Phys. Chem. A 2011, 115, 10650.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXhtFSmt7vO&md5=b38219d2ff0cd701f7991bea037826acCAS | 21851061PubMed |

[155]  N. S. Hush, Z. Elektrochem. Angew. Phys. Chem. 1957, 61, 734.
         | 1:CAS:528:DyaG2sXovFCqtw%3D%3D&md5=170d46a4a478c99d4d2ce79e84f8dee0CAS |

[156]  N. S. Hush, J. Chem. Phys. 1958, 28, 962.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG1cXptFKitA%3D%3D&md5=fe0264481c4e69072ae01a448208a3b3CAS |

[157]  N. S. Hush, Discuss. Faraday Soc. 1960, 29, 113.
         | Crossref | GoogleScholarGoogle Scholar |

[158]  N. S. Hush, in Soviet Electrochemistry: Proceedings of the Fourth Conference on Electrochemistry 1956 (Ed. A. N. Frumkin) 1961, Vol. 1, pp. 99–100 (Consultants Bureau: New York, NY).

[159]  N. S. Hush, J. Electroanal. Chem. 1999, 460, 5.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXhs1Sls7c%3D&md5=6a31270971192e75302681f4d56212ffCAS |

[160]  R. A. Marcus, Annu. Rev. Phys. Chem. 1964, 15, 155.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF2cXkslaksro%3D&md5=ce7e78457a63e868120acad200b101cfCAS |

[161]  J. M. Warman, M. P. d. Haas, M. N. Paddon-Row, E. Cotsaris, N. S. Hush, H. Oevering, J. W. Verhoeven, Nature 1986, 320, 615.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL28Xkt1Wru74%3D&md5=8a4242635f268a485cdb79832d677d72CAS |

[162]  J. R. Reimers, N. S. Hush, Chem. Phys. 1990, 146, 105.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3MXjt1ylsA%3D%3D&md5=083c05ae0d0243a725693984eb5895a0CAS |

[163]  J. R. Reimers, N. S. Hush, D. Sameth, P. R. Callis, Chem. Phys. Lett. 1990, 169, 622.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXls1Wmt7s%3D&md5=646025680bdfe50ceafe6d7fa47c94ddCAS |

[164]  J. R. Reimers, N. S. Hush, Chem. Phys. 1989, 134, 323.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL1MXlvVWrsrc%3D&md5=5a42f7522dfb69432cc7d321df5a120fCAS |

[165]  J. R. Reimers, N. S. Hush, J. Photochem. Photobiol. Chem. 1994, 82, 31.
         | Crossref | GoogleScholarGoogle Scholar |

[166]  J. R. Reimers, N. S. Hush, Chem. Phys. 1990, 146, 89.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXmtFyqtrw%3D&md5=a90d4c058fadebb8821c3c0634a40205CAS |

[167]  J. R. Reimers, N. S. Hush, J. Phys. Chem. 1991, 95, 9773.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3MXms1Gktr4%3D&md5=cb1e9273e8d9b748a4466c603c3e9d7aCAS |

[168]  J. R. Reimers, N. S. Hush, in Mixed Valence Systems: Applications in Chemistry, Physics, and Biology (Ed. K. Prassides) 1991, Ch. 2, pp. 29–50 (Kluwer Academic Publishers: Dordrecht).

[169]  N. S. Hush, J. R. Reimers, J. Phys. Chem. 1995, 99, 15798.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2MXosVKqtro%3D&md5=b3e7548156cf086a7004624b680c6dc7CAS |

[170]  D. J. Lockhart, S. G. Boxer, Biochemistry 1987, 26, 664.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2sXmsVCmtQ%3D%3D&md5=c87e8ac8b08f6022fb8f9bced8a63a71CAS |

[171]  D. J. Lockhart, R. F. Goldstein, S. G. Boxer, J. Phys. Chem. 1988, 89, 1408.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL1cXlsVKnurg%3D&md5=1d6e5b9336b7bb9fd9264116cbe89348CAS |

[172]  M. A. Steffen, K. Lao, S. G. Boxer, Science 1994, 264, 810.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2cXjtF2lt78%3D&md5=2a4cbaa5b48392b94258cc95ed28f4a6CAS | 17794722PubMed |

[173]  K. Lao, L. J. Moore, H. Zhou, S. G. Boxer, J. Phys. Chem. 1995, 99, 496.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2MXivVeqt7Y%3D&md5=2795af2c44dd31ff271660ade6753674CAS |

[174]  L. M. P. Beekman, M. Steffen, I. H. M. van Stokkum, J. D. Olsen, C. N. Hunter, S. G. Boxer, R. van Grondelle, J. Phys. Chem. B 1997, 101, 7284.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2sXlsVSnu7c%3D&md5=bc586d42d27eb8df04a4c60a29fd9d86CAS |

[175]  S. D. Fried, S. Bagchi, S. G. Boxer, Science 2014, 346, 1510.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXitV2gtrzN&md5=b09ca4d403f6fe7f47206e956385e009CAS | 25525245PubMed |

[176]  N. S. Hush, A. T. Wong, G. B. Bacskay, J. R. Reimers, J. Am. Chem. Soc. 1990, 112, 4192.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXit1ensLY%3D&md5=966574b8526c046461897ab4a0965655CAS |

[177]  J. R. Reimers, L. E. Hall, J. Am. Chem. Soc. 1999, 121, 3730.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXit1aks7c%3D&md5=8e39e362a78ea7ebed8a7f7cde385ba8CAS |

[178]  J. R. Reimers, Aust. J. Chem. 2015, 68, 1202.
         | 1:CAS:528:DC%2BC2MXht1OnsrfP&md5=3e06b85911df2017e06c0a667d1cb6c3CAS |

[179]  T. Van Voorhis, T. Kowalczyk, B. Kaduk, L.-P. Wang, C.-L. Cheng, Q. Wu, Annu. Rev. Phys. Chem. 2010, 61, 149.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXmt1WrsbY%3D&md5=a4b8caf3c57910efe607eb1168d874b5CAS | 20055670PubMed |

[180]  J. R. Reimers, L. McKemmish, R. H. McKenzie, N. S. Hush, Phys. Chem. Chem. Phys. 2015, 17, 24598.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhtFemu7bL&md5=fcf6d8de99b8609ebf9cf4be8669b4f5CAS | 26193994PubMed |

[181]  L. K. McKemmish, J. R. Reimers, R. H. McKenzie, A. E. Mark, N. S. Hush, Phys. Rev. E Stat. Nonlin. Soft Matter Phys. 2009, 80, 021912.
         | Crossref | GoogleScholarGoogle Scholar | 19792156PubMed |

[182]  J. R. Reimers, L. K. McKemmish, R. H. McKenzie, A. E. Mark, N. S. Hush, Proc. Natl. Acad. Sci. USA 2009, 106, 4219.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXjslChuro%3D&md5=7bb18897c53fb4408b222e27dc7eefeeCAS | 19251667PubMed |

[183]  J. R. Reimers, L. K. McKemmish, R. H. McKenzie, A. E. Mark, N. S. Hush, Phys. Life Rev. 2014, 11, 101.
         | Crossref | GoogleScholarGoogle Scholar | 24268490PubMed |

[184]  L. McKemmish, R. H. McKenzie, N. S. Hush, J. R. Reimers, Phys. Chem. Chem. Phys. 2015, 17, 24666.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhtFemu7bF&md5=ba53a5d96187cf15ae0cf16699017588CAS | 26204101PubMed |

[185]  J. R. Reimers, L. McKemmish, R. H. McKenzie, N. S. Hush, Phys. Chem. Chem. Phys. 2015, 17, 24640.

[186]  J. R. Reimers, L. McKemmish, R. H. McKenzie, N. S. Hush, Phys. Chem. Chem. Phys. 2015, 17, 24618.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhtFemu7bK&md5=3c2a435451a3c8470e60005a074c939bCAS | 26190514PubMed |

[187]  N. F. Mott, M. J. Littleton, Trans. Faraday Soc. 1938, 34, 485.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaA1cXivFaksg%3D%3D&md5=751da7d998ef051a3e82a3c740b49998CAS |

[188]  T. Holstein, Ann. Phys. 1959, 8, 343.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF3cXpsFejtg%3D%3D&md5=2a397f4cdeeaa8b29d2075d05177a3d6CAS |

[189]  T. Holstein, Ann. Phys. 1959, 8, 325.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF3cXpsFejsQ%3D%3D&md5=d6c1182e1781222fbc33268c644b5de6CAS |

[190]  L. K. McKemmish, D. J. Kedziora, G. R. White, N. S. Hush, J. R. Reimers, Aust. J. Chem. 2012, 65, 512.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC38Xns1yrsLo%3D&md5=0a9d27b017a66ab8c37ea52526d8f0d8CAS |

[191]  N. S. Hush, Trans Faraday Soc. 1961, 57, 557.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF3MXhtV2ksrg%3D&md5=d6f0832f3f5ff353cd0c3c5d7bd6cdf3CAS |

[192]  J. Swalen, J. Ibers, J. Chem. Phys. 1962, 36, 1914.
         | Crossref | GoogleScholarGoogle Scholar |

[193]  S. N. Yurchenko, R. J. Barber, J. Tennyson, W. Thiel, P. Jensen, J. Mol. Spectrosc. 2011, 268, 123.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXhtVyntL%2FE&md5=71924489ec8a0db8b2ef7b358e74e475CAS |

[194]  X. Huang, D. W. Schwenke, T. J. Lee, J. Chem. Phys. 2011, 134, 044320.
         | Crossref | GoogleScholarGoogle Scholar | 21280738PubMed |

[195]  Z.-L. Cai, J. R. Reimers, J. Phys. Chem. A 2000, 104, 8389.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXlslWktrY%3D&md5=582d644d29912e776af808a2692d70e2CAS |

[196]  J. R. Reimers, B. B. Wallace, N. S. Hush, Philos. Trans. R. Soc. A 2008, 366, 15.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXhsVCgsr0%3D&md5=86e80bf31635eed4fbc7b2ce1e616b99CAS |

[197]  N. S. Hush, in Mechanistic Aspects of Inorganic Reactions (Eds D. B. Rorabacher, J. F. Endicott) 1982, Vol. 198, Ch. 13, pp. 301–332 (American Chemical Society: Washington DC).

[198]  S. Woitellier, J. P. Launay, C. W. Spangler, Inorg. Chem. 1989, 28, 758.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL1MXoslCitg%3D%3D&md5=cbe2fdf4be30002ff6e183c0be205296CAS |

[199]  J. R. Reimers, N. S. Hush, Inorg. Chem. 1990, 29, 3686.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXlsVWiurg%3D&md5=35031d7eb0c005f0d8887ce00cda34ceCAS |

[200]  J. F. Stanton, J. Chem. Phys. 2010, 133, 174309.
         | Crossref | GoogleScholarGoogle Scholar | 21054034PubMed |

[201]  M. Brinkmann, G. Gadret, M. Muccini, C. Taliani, N. Masciocchi, A. Sironi, J. Am. Chem. Soc. 2000, 122, 5147.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXjtV2mtbo%3D&md5=252b21b8be1b955b3963137b812e31c1CAS |

[202]  S. Yin, L. Li, Y. Yang, J. R. Reimers, J. Phys. Chem. C 2012, 116, 14826.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC38XosFekur4%3D&md5=faf77802922b8040c6ae4d3409ae1039CAS |

[203]  S.-H. Lee, A. G. Larsen, K. Ohkubo, Z.-L. Cai, J. R. Reimers, S. Fukuzumi, M. J. Crossley, Chem. Sci. 2012, 3, 257.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXhsFeju7bE&md5=553422b36b3c131d66d3b0110ce74b1cCAS |

[204]  D. Curiel, K. Ohkubo, J. R. Reimers, S. Fukuzumi, M. J. Crossley, Phys. Chem. Chem. Phys. 2007, 9, 5260.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXhtV2itL3I&md5=75d5884be219592d4d7549018a62b64cCAS | 19459289PubMed |

[205]  N. S. Hush, Chem. Phys. 1975, 10, 361.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE2MXmtFWis7c%3D&md5=b134cc5eb947516fbc35afdb030ba1cbCAS |

[206]  N. S. Hush, NATO Adv. Study Inst. Ser., Ser. C 1980, 58, 151.
         | 1:CAS:528:DyaL3MXlslaiuw%3D%3D&md5=045398eb7fac00b2b8a148d075dd2e19CAS |

[207]  U. Öpik, M. H. L. Pryce, Proc. R. Soc. Lond. A: Math. Phys. Sci. 1957, 238, 425.
         | Crossref | GoogleScholarGoogle Scholar |

[208]  M. B. Robin, P. Day, Adv. Inorg. Chem. Radiochem. 1967, 10, 247.
         | 1:CAS:528:DyaF1cXovF2isA%3D%3D&md5=147fc9884e6f384dde363aca8ea268d9CAS |

[209]  S. B. Piepho, J. Am. Chem. Soc. 1990, 112, 4197.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXit1emtrs%3D&md5=c3cace4f79b599d0fee0d1a3cb321eb6CAS |

[210]  R. Kubo, Y. Toyozawa, Prog. Theor. Phys. 1955, 13, 160.
         | Crossref | GoogleScholarGoogle Scholar |

[211]  V. G. Levich, R. R. Dogonadze, Dokl. Akad. Nauk. SSSR Ser. Fiz. Khim. 1959, 124, 123.
         | 1:CAS:528:DyaF3MXmtFA%3D&md5=032c370b276c9c65e2815e86836aff4eCAS |

[212]  M. Born, K. Huang, Dynamical Theory of Crystal Lattices 1954 (Clarendon: Oxford).

[213]  C. J. Ballhausen, A. E. Hansen, Annu. Rev. Phys. Chem. 1972, 23, 15.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE3sXmsVehug%3D%3D&md5=6b73ee3406ead771d599cd50137458caCAS |

[214]  B. K. Kendrick, C. A. Mead, D. G. Truhlar, Chem. Phys. 2002, 277, 31.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD38XhtlOjsb4%3D&md5=1096308cd99f540abb1d1632439a75a7CAS |

[215]  A. W. Jasper, B. K. Kendrick, C. A. Mead, D. G. Truhlar, Adv. Ser. Phys. Chem. 2004, 14, 329.
         | 1:CAS:528:DC%2BD2cXkvFKjtbo%3D&md5=ffc24cb745966a34f6d00481d022d997CAS |

[216]  P. T. Saunders, An Introduction to Catastrophe Theory 1980 (Cambridge University Press: Cambridge).

[217]  F. Xu, Z. Phys. Chem. 1990, 166, 79.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXhvVKrtr0%3D&md5=af9f2141dc2698ba14cd143955b77f62CAS |

[218]  X. Krokidis, B. Silvi, C. Dezarnaud-Dandine, A. Sevin, New J. Chem. 1998, 22, 1341.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXpt1en&md5=5430f05d728db33d66615835d6d7b479CAS |

[219]  D. J. Wales, Science 2001, 293, 2067.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3MXntVCisL0%3D&md5=8ff41911d4e9eac0ab9a7c8df0801369CAS | 11557887PubMed |

[220]  R. S. Mulliken, Rev. Mod. Phys. 1942, 14, 204.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaH3sXnvFKg&md5=c53d2261dd3b447998b4a4edf3ec01beCAS |

[221]  A. D. Walsh, J. Chem. Soc. 1953, 2296.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3sXntVOlug%3D%3D&md5=2cefb3ce9b61495638fd6ac995f41307CAS |

[222]  A. D. Walsh, Photoelec. Spectrom. Group Bull. 1961, 13, 348.

[223]  B. M. Gimarc, J. Am. Chem. Soc. 1971, 93, 593.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE3MXmsl2isw%3D%3D&md5=f6fb1921d781deaae99a475369ff23d9CAS |

[224]  K. Mislow, R. D. Baechler, J. Am. Chem. Soc. 1971, 93, 773.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE3MXhtFWnsb4%3D&md5=f93d7b1ec888c8e139cfdb5663c0fdf2CAS |

[225]  A. H. Pakiari, F. Nazari, J. Mol. Struct. THEOCHEM 2005, 717, 189.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXhvF2ltrg%3D&md5=28a2c7bf47eed5546b7da1172287da96CAS |

[226]  Y. Arasaki, K. Takatsuka, K. Wang, V. McKoy, Phys. Rev. Lett. 2003, 90, 248303.
         | Crossref | GoogleScholarGoogle Scholar | 12857232PubMed |

[227]  R. G. Pearson, Chem. Phys. Lett. 1971, 10, 31.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE3MXltVWgtLc%3D&md5=6a8a08a6b211f64f5607a15b020e578cCAS |

[228]  A. D. Walsh, P. A. Warsop, Trans. Faraday Soc. 1961, 57, 345.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF3MXhtV2rtrg%3D&md5=7e01fe2b7f377751914358cd58eaa333CAS |

[229]  R. F. W. Bader, Can. J. Chem. 1962, 40, 1164.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF38XksVSntro%3D&md5=0117e244aaba9641576c9c8f5c23c780CAS |

[230]  L. Salem, J. S. Wright, J. Am. Chem. Soc. 1969, 91, 5947.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF1MXlt12htro%3D&md5=e51e654c6ebed0599f589d5ebe078e7fCAS |

[231]  R. G. Pearson, J. Am. Chem. Soc. 1969, 91, 4947.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF1MXkslCitb8%3D&md5=2a47a29e2fa272e773f4186e9217b279CAS |

[232]  R. G. Pearson, Acc. Chem. Res. 1971, 4, 152.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE3MXhtlSmt74%3D&md5=fc80efa0e979de07c73e8ed8eef7ebccCAS |

[233]  C. C. Levin, J. Am. Chem. Soc. 1975, 97, 5649.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE2MXlvVeqsLw%3D&md5=8fd693eedc0f00018f192fbbbc6ed7a0CAS |

[234]  I. B. Bersuker, Adv. Quantum Chem. 2003, 44, 1.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXhsVSmu70%3D&md5=be6579c016579ea985150300e58bb134CAS |

[235]  Y. Liu, I. B. Bersuker, W. Zou, J. E. Boggs, J. Chem. Theory Comput. 2009, 5, 2679.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXhtFOks7fM&md5=2d22ca4ae6fff000dba9163a00865ae8CAS | 26631781PubMed |

[236]  R. J. Gillespie, R. S. Nyholm, Q. Rev. Chem. Soc. 1957, 11, 339.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG1cXivFSjug%3D%3D&md5=fec0c758642cf2dcbbce35f21e8c158aCAS |

[237]  R. J. Gillespie, E. A. Robinson, Angew. Chem. Int. Ed. Engl. 1996, 35, 495.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28XhvVOlu74%3D&md5=9a00eac0fbd60d58854a15078b0e10a1CAS |

[238]  R. J. Gillespie, Coord. Chem. Rev. 2000, 197, 51.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXitVSms7c%3D&md5=2058e61837e900a4d3cc93ff00d9cbe7CAS |

[239]  R. J. Gillespie, Coord. Chem. Rev. 2008, 252, 1315.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXlvFyntr0%3D&md5=5ddfba002bc845df556a4ed708509df5CAS |

[240]  N. V. Sidgwick, H. M. Powell, Proc. R. Soc. Lond. A 1940, 176, 153.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaH3MXotVKn&md5=165eddc80f4113f3fb844973b72b5b04CAS |

[241]  J. A. Pople, Proc. R. Soc. Lond. A 1950, 202, 323.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaG3MXjsVKgsg%3D%3D&md5=02e736558aed4502b2ee5375015c0097CAS |

[242]  S.-H. Lee, I. M. Blake, A. G. Larsen, J. A. McDonald, K. Ohkubo, S. Fukuzumi, J. R. Reimers, M. J. Crossley, Chem. Sci. 2016, 7, 6534.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28XpvFeisLo%3D&md5=b0ec14361949b24326cedd0a7188a919CAS |

[243]  P. C. Dastoor, C. R. McNeill, H. Frohne, C. J. Foster, B. Dean, C. J. Fell, W. J. Belcher, W. M. Campbell, D. L. Officer, I. M. Blake, P. Thordarson, M. J. Crossley, N. S. Hush, J. R. Reimers, J. Phys. Chem. C 2007, 111, 15415.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXhtFSmsLnK&md5=ce6bf9c0d014d61bd28d5ea967feaf56CAS |

[244]  K. Sendt, L. A. Johnston, W. A. Hough, M. J. Crossley, N. S. Hush, J. R. Reimers, J. Am. Chem. Soc. 2002, 124, 9299.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD38Xltlais7w%3D&md5=a6d40e177b50e896822bfe8edcfd0eb5CAS | 12149038PubMed |

[245]  C. Martelli, J. Canning, J. R. Reimers, M. Sintic, D. Stocks, T. Khoury, M. J. Crossley, J. Am. Chem. Soc. 2009, 131, 2925.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXhs1Sls70%3D&md5=f1f3732b8ad78b75dacf6678a09b274fCAS | 19203267PubMed |

[246]  P. F. Cafe, A. G. Larsen, W. Yang, A. Bilic, I. M. Blake, M. J. Crossley, J. Zhang, H. Wackerbarth, J. Ulstrup, J. R. Reimers, J. Phys. Chem. C 2007, 111, 17285.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXht1eitrvP&md5=717ac34447e10ced1f2910a32ddeebfaCAS |

[247]  R. B. Piper, M. Yoshida, D. J. Farrell, T. Khoury, M. J. Crossley, T. W. Schmidt, S. A. Haque, N. J. Ekins-Daukes, RSC Adv. 2014, 4, 8059.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXhtlagsLs%3D&md5=90323d8ec932ec8df3007a1f45720a62CAS |

[248]  Y. Y. Cheng, T. Khoury, R. G. C. R. Clady, M. J. Y. Tayebjee, N. J. Ekins-Daukes, M. J. Crossley, T. W. Schmidt, Phys. Chem. Chem. Phys. 2010, 12, 66.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXhsFektbjK&md5=44769f1f7d5ba91f60b7b86db37bc8c9CAS | 20024445PubMed |

[249]  P. J. Sintic, W. E, Z. Ou, J. Shao, J. A. McDonald, Z.-L. Cai, K. M. Kadish, M. J. Crossley, J. R. Reimers, Phys. Chem. Chem. Phys. 2008, 10, 268.; this article was unfortunately duplicated later in 10(4) P515–527, their note 10 P7328.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXhtVGksL8%3D&md5=692a3351eccedc6402252cadf888634dCAS | 18273994PubMed |

[250]  W. E, K. M. Kadish, P. J. Sintic, T. Khoury, L. J. Govenlock, Z. Ou, J. Shao, K. Ohkubo, J. R. Reimers, S. Fukuzumi, M. J. Crossley, J. Phys. Chem. A 2008, 112, 556.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXitFaqsg%3D%3D&md5=259df1defa3929cc91cffd92409e9dd2CAS | 18171032PubMed |

[251]  M. J. Crossley, C. S. Sheehan, T. Khoury, J. R. Reimers, P. J. Sintic, New J. Chem. 2008, 32, 340.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXhsFyqt70%3D&md5=8913fff7f54a5a656954939f9a21ce68CAS |

[252]  K. M. Kadish, W. E, P. J. Sintic, Z. Ou, J. Shao, K. Ohkubo, S. Fukuzumi, L. J. Govenlock, J. A. McDonald, A. C. Try, Z.-L. Cai, J. R. Reimers, M. J. Crossley, J. Phys. Chem. B 2007, 111, 8762.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXnsV2rsLo%3D&md5=3146c01a7d57f4463cfd1a12efbde583CAS | 17608523PubMed |

[253]  J. R. Reimers, D. Panduwinata, J. Visser, Y. Chin, C. Tang, L. Goerigk, M. J. Ford, M. Sintic, T.-J. Sum, M. J. J. Coenen, B. L. M. Hendriksen, J. A. A. W. Elemans, N. S. Hush, M. J. Crossley, Proc. Natl. Acad. Sci. USA 2015, 112, E6101.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhsleksbbN&md5=7f32bbb197215464b218ef2fb8dd6dc5CAS | 26512115PubMed |

[254]  T. X. Lü, J. R. Reimers, M. J. Crossley, N. S. Hush, J. Phys. Chem. 1994, 98, 11878.
         | Crossref | GoogleScholarGoogle Scholar |

[255]  J. R. Reimers, T. X. Lu, M. J. Crossley, N. S. Hush, Nanotechnology 1996, 7, 424.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2sXjtVWlt78%3D&md5=f9c1d8b9395e5d3b733f06e822d31764CAS |

[256]  J. R. Reimers, L. E. Hall, M. J. Crossley, N. S. Hush, J. Phys. Chem. A 1999, 103, 4385.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1MXjtVCntbs%3D&md5=b2a3e1caf0c3f38206c0d89f0af535a8CAS |

[257]  J. R. Reimers, N. S. Hush, M. J. Crossley, J. Porphyr. Phthalocyanines 2002, 06, 795.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXhsFWmtr4%3D&md5=f076c092254d7fb5444fd6a3a3dfec87CAS |

[258]  J. R. Reimers, A. Bilic, Z.-L. Cai, M. Dahlbom, N. A. Lambropoulos, G. C. Solomon, M. J. Crossley, N. S. Hush, Aust. J. Chem. 2004, 57, 1133.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXhtVGns73K&md5=9fcaa1f31d901b71b37c588c3a251c6aCAS |

[259]  N. A. Lambropoulos, J. R. Reimers, M. J. Crossley, N. S. Hush, K. Silverbrook, Nanotechnology 2013, 24, 505202.
         | Crossref | GoogleScholarGoogle Scholar | 24270608PubMed |

[260]  C. Yelgel, J. Appl. Phys. 2016, 119, 065307.
         | Crossref | GoogleScholarGoogle Scholar |

[261]  A. A. Tonkikh, E. N. Voloshina, P. Werner, H. Blumtritt, B. Senkovskiy, G. Güntherodt, S. S. P. Parkin, Y. S. Dedkov, Sci. Rep. 2016, 6, 23547.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28XkvVCrtr8%3D&md5=99b8cf2b54b5a9845925a43fedf5dbbbCAS | 27009238PubMed |

[262]  J. Tesch, P. Leicht, F. Blumenschein, L. Gragnaniello, M. Fonin, L. E. M. Steinkasserer, B. Paulus, E. Voloshina, Y. Dedkov, Sci. Rep. 2016, 6, 23439.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28Xks1CrurY%3D&md5=0daec7fb1014ae80e23e1f44c32d1030CAS | 27002297PubMed |

[263]  P. Singla, M. Riyaz, S. Singhal, N. Goel, Phys. Chem. Chem. Phys. 2016, 18, 5597.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28XpsVWhsQ%3D%3D&md5=f92aff332a146be071e1bbfe9eef773fCAS | 26863069PubMed |

[264]  M. Muruganathan, J. Sun, T. Imamura, H. Mizuta, Nano Lett. 2015, 15, 8176.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhvVWru7rK&md5=b1757201d4c0029bee3f1035e834424dCAS | 26562749PubMed |

[265]  J. Moreno, S. Aspera, M. David, H. Kasai, Carbon 2015, 94, 936.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXht1KgtrfP&md5=3d8ee79da68fb7500f803632f9f7061cCAS |

[266]  D. Mollenhauer, C. Brieger, E. Voloshina, B. Paulus, J. Phys. Chem. C 2015, 119, 1898.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhtFyltLc%3D&md5=870db1f441e4e0a8937061ad2a1b1bc9CAS |

[267]  R. J. Maurer, V. G. Ruiz, A. Tkatchenko, J. Chem. Phys. 2015, 143, 102808.
         | Crossref | GoogleScholarGoogle Scholar | 26374001PubMed |

[268]  W. Gao, A. Tkatchenko, Phys. Rev. Lett. 2015, 114, 096101.
         | Crossref | GoogleScholarGoogle Scholar | 25793829PubMed |

[269]  Y. S. Dedkov, E. N. Voloshina, M. Fonin, Phys. Status Solidi B 2015, 252, 451.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXktVGqtbc%3D&md5=94cb58275edbdd5852629b356490acfdCAS |

[270]  Y. S. Dedkov, E. N. Voloshina, J. Phys. Condens. Matter 2015, 27, 303002.
         | Crossref | GoogleScholarGoogle Scholar |

[271]  B. Wang, X. Zheng, J. Michl, E. T. Foley, M. C. Hersam, A. Bilic, M. J. Crossley, J. R. Reimers, N. S. Hush, Nanotechnology 2004, 15, 324.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXlslalurc%3D&md5=300cbcefc2c2d5e277e9c29d3cdcd437CAS |

[272]  S. A. Saraireh, P. V. Smith, B. V. King, J. R. Reimers, B. J. Wallace, M. J. Crossley, J. Phys. Chem. C 2009, 113, 16094.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXhtVSgtbvK&md5=59804668bd598e05f32ab3bdf3f4a7f7CAS |

[273]  R. Landauer, IBM J. Res. Develop. 1957, 1, 223.
         | Crossref | GoogleScholarGoogle Scholar |

[274]  Y. Meir, N. S. Wingreen, Phys. Rev. Lett. 1992, 68, 2512.
         | Crossref | GoogleScholarGoogle Scholar | 10045416PubMed |

[275]  A. Cheong, A. E. Roitberg, V. Mujica, M. A. Ratner, J. Photochem. Photobiol. Chem. 1994, 82, 81.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2cXmvV2gtbg%3D&md5=7d60ff7b85533c2620609978452be90bCAS |

[276]  M. Kemp, V. Mujica, M. A. Ratner, J. Chem. Phys. 1994, 101, 5172.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2cXmsVaktb8%3D&md5=44fb1a3aab72d30fcaaea39d88ec5341CAS |

[277]  M. Kemp, A. Roitberg, V. Mujica, T. Wanta, M. A. Ratner, J. Phys. Chem. 1996, 100, 8349.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK28XisFKgu70%3D&md5=83d8e1b7266f9d90e60350abfce871b1CAS |

[278]  A. Aviram, M. A. Ratner, Chem. Phys. Lett. 1974, 29, 277.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE2MXhs1Cjtbw%3D&md5=2ed4ea2b259e7f87640a1e46af6e6582CAS |

[279]  S. Datta, Electronic Transport in Mesoscopic Systems 1997 (Cambridge University Press: Cambridge).

[280]  L. V. Keldysh, Sov. Phys. JEPT 1965, 20, 1018.

[281]  L. E. Hall, J. R. Reimers, N. S. Hush, K. Silverbrook, J. Chem. Phys. 2000, 112, 1510.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXitlantA%3D%3D&md5=b9ba772590d9c79e677909b082dd18daCAS |

[282]  J. Taylor, H. Guo, J. Wang, Phys. Rev. B 2001, 63, 245407.
         | Crossref | GoogleScholarGoogle Scholar |

[283]  L. N. Zhang, F. Zahid, Y. Zhu, L. Liu, J. Wang, H. Guo, P. C. H. Chan, M. S. Chan, IEEE Trans. Electron. Dev. 2013, 60, 3527.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXhslGnsrfK&md5=9bf374628505a580e45fc6ac7335c6deCAS |

[284]  J. Trasobares, D. Vuillaume, D. Théron, N. Clément, Nat. Comm. 2016, 7, 12850.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28Xhs1amtLzM&md5=fdb4991ba0848d881cd05bfa8a3fe063CAS |

[285]  W. Wang, T. Lee, I. Kretzschmar, M. A. Reed, Nano Lett. 2004, 4, 643.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXhvFWlur4%3D&md5=16dad14c6e6e51148314b142cbad5ea8CAS |

[286]  G. Kushmerick, J. Lazorcik, C. H. Patterson, R. Shashidhar, Nano Lett. 2004, 4, 639.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXitFeqsLw%3D&md5=c61dfa320ac73f741aa5f2d7e32c22c9CAS |

[287]  R. C. Jaklevic, J. Lambe, Phys. Rev. Lett. 1966, 17, 1139.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF2sXktFCnsg%3D%3D&md5=a0687e94927d6f3732efd3df4c9d7c5aCAS |

[288]  G. C. Solomon, A. Gagliardi, A. Pecchia, T. Frauenheim, A. Di Carlo, J. R. Reimers, N. S. Hush, J. Chem. Phys. 2006, 124, 094704.
         | Crossref | GoogleScholarGoogle Scholar |

[289]  A. Troisi, A. Ratner Mark, Phys. Rev. B 2005, 72, 033408.
         | Crossref | GoogleScholarGoogle Scholar |

[290]  A. Troisi, A. Ratner Mark, A. Nitzan, J. Chem. Phys. 2003, 118, 6072.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXitlemtr4%3D&md5=b48e42101e4f94f2df7aba6c585054acCAS |

[291]  G. C. Solomon, A. Gagliardi, A. Pecchia, T. Frauenheim, A. Di Carlo, J. R. Reimers, N. S. Hush, J. Chem. Phys. 2006, 125, 184702.
         | Crossref | GoogleScholarGoogle Scholar | 17115774PubMed |

[292]  A. Gagliardi, G. C. Solomon, A. Pecchia, T. Frauenheim, A. Di Carlo, N. S. Hush, J. R. Reimers, Phys. Rev. B 2007, 75, 174306.
         | Crossref | GoogleScholarGoogle Scholar |

[293]  J. R. Reimers, G. C. Solomon, A. Gagliardi, A. Bilic, N. S. Hush, T. Frauenheim, A. Di Carlo, A. Pecchia, J. Phys. Chem. A 2007, 111, 5692.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXlvVWjtL0%3D&md5=caf0f4e34f57a5f4d993cfd0f1b19818CAS | 17530826PubMed |

[294]  A. J. Ferguson, P. A. Cain, D. A. Williams, G. A. D. Briggs, Phys. Rev. A 2002, 65, 034303.
         | Crossref | GoogleScholarGoogle Scholar |

[295]  R. Penrose, S. R. Hameroff, J. Conscious. Stud. 1995, 2, 99.

[296]  S. Hameroff, R. Penrose, Math. Comput. Simul. 1996, 40, 453.
         | Crossref | GoogleScholarGoogle Scholar |

[297]  S. Hameroff, Philos. Trans. R. Soc. A 1998, 356, 1869.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK1cXmtVygsLw%3D&md5=db8ab2018c38e429ed254fd9636af892CAS |

[298]  S. Hagan, S. R. Hameroff, J. A. Tuszynski, Phys. Rev. E: Stat. Nonlin. Soft Matter Phys. 2002, 65, 061901.
         | Crossref | GoogleScholarGoogle Scholar | 1:STN:280:DC%2BD38vktlCisg%3D%3D&md5=7b1b275079cb22b56b4583bf6e390d54CAS |

[299]  S. Hameroff, R. Penrose, Phys. Life Rev. 2014, 11, 39.
         | Crossref | GoogleScholarGoogle Scholar | 24070914PubMed |

[300]  R. Penrose, The Emperor’s New Mind 1989 (Oxford University Press: Oxford).

[301]  R. Penrose, Shadows of the Mind 1994 (Oxford University Press: New York, NY).

[302]  H. Fröhlich, Int. J. Quantum Chem. 1968, 2, 641.
         | Crossref | GoogleScholarGoogle Scholar |

[303]  H. Fröhlich, Phys. Lett. A 1968, 26, 402.
         | Crossref | GoogleScholarGoogle Scholar |

[304]  H. Fröhlich, Nature 1970, 228, 1093.
         | Crossref | GoogleScholarGoogle Scholar | 5483165PubMed |

[305]  E. U. Condon, G. H. Shortley, The Theory of Atomic Spectra 1935 (Cambridge University Press: London).

[306]  A. K. Geim, I. V. Grigorieva, Nature 2013, 499, 419.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXhtFKnu7rN&md5=8f91b4f5c8c42a9774e3c220230694b5CAS | 23887427PubMed |

[307]  A. Allain, J. Kang, K. Banerjee, A. Kis, Nat. Mater. 2015, 14, 1195.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhvVOlsr3K&md5=6cb1b4e5a52be349dc9b296d917c4864CAS | 26585088PubMed |

[308]  A. A. Svidzinsky, M. O. Scully, D. R. Herschbach, Proc. Natl. Acad. Sci. USA 2005, 102, 11985.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXps1yrur8%3D&md5=4670ee38f1cebfca02c1d7e6edbcca22CAS | 16103360PubMed |

[309]  G. Chen, Z. Ding, S. B. Hsu, M. Kim, J. Zhou, J. Math. Phys. 2006, 47, 022107.
         | Crossref | GoogleScholarGoogle Scholar |

[310]  A. A. Svidzinsky, S. A. Chin, M. O. Scully, Phys. Lett. A 2006, 355, 373.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XltV2hurs%3D&md5=e84cd3e88eec1ddac59c7e75e98f1cafCAS |

[311]  D. Ben-Amotz, J. Phys. Chem. B 2006, 110, 19861.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XmvFGjsbk%3D&md5=32e60c55e352982df4a72e1c2a52e912CAS | 17020371PubMed |

[312]  G. Chen, Z. Ding, C. S. Lin, D. Herschbach, M. O. Scully, J. Math. Chem. 2010, 48, 791.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXhtFaitLvE&md5=86ab3eec93e2bf3484ea577bb77e0ce4CAS |

[313]  G. B. Bacskay, J. R. Reimers, S. Nordholm, J. Chem. Educ. 1997, 74, 1494.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2sXnslShu70%3D&md5=63628b9ff373c3e04340b1852b634f9dCAS |

[314]  J. F. Dobson, Int. J. Quantum Chem. 2014, 114, 1157.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXislCgsLg%3D&md5=65ba4f70431b7f832be8a36021c2c411CAS |

[315]  S. Tsoi, P. Dev, A. L. Friedman, R. Stine, J. T. Robinson, T. L. Reinecke, P. E. Sheehan, ACS Nano 2014, 8, 12410.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXhvFKqurbJ&md5=1d1356d6eb8ff587b7af1c1909b4fe9eCAS | 25412420PubMed |

[316]  J. F. Dobson, A. White, A. Rubio, Phys. Rev. Lett. 2006, 96, 073201.
         | Crossref | GoogleScholarGoogle Scholar | 16606085PubMed |

[317]  S. Lebègue, J. Harl, T. Gould, J. G. Ángyán, G. Kresse, J. F. Dobson, Phys. Rev. Lett. 2010, 105, 196401.
         | Crossref | GoogleScholarGoogle Scholar | 21231187PubMed |

[318]  J. F. Dobson, T. Gould, G. Vignale, Phys. Rev. X 2014, 4, 021040.
         | Crossref | GoogleScholarGoogle Scholar |

[319]  R. F. Liu, J. G. Angyan, J. F. Dobson, J. Chem. Phys. 2011, 134, 114106.
         | Crossref | GoogleScholarGoogle Scholar | 21428606PubMed |

[320]  M. Boström, B. E. Sernelius, Phys. Rev. B 2000, 61, 2204.
         | Crossref | GoogleScholarGoogle Scholar |

[321]  D. B. Chang, R. L. Cooper, J. E. Drummond, A. C. Young, Phys. Lett. A 1971, 37, 311.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE38Xns1GmtA%3D%3D&md5=96de4f758fa26ccfbe564363e819980cCAS |

[322]  V. V. Gobre, A. Tkatchenko, Nat. Commun. 2013, 5, 2341.

[323]  R. Jaffe, Phys. Rev. D: Part. Fields Gravit. Cosmol. 2005, 72, 021301.
         | Crossref | GoogleScholarGoogle Scholar |

[324]  A. J. Misquitta, B. Jeziorski, K. Szalewicz, Phys. Rev. Lett. 2003, 91, 033201.
         | Crossref | GoogleScholarGoogle Scholar | 12906414PubMed |

[325]  J. Erhard, P. Bleiziffer, A. Görling, Phys. Rev. Lett. 2016, 117, 143002.
         | Crossref | GoogleScholarGoogle Scholar | 27740821PubMed |

[326]  J. R. Reimers, M. Li, D. Wan, M. J. Ford, in Noncovalent Interactions in Quantum Chemistry and Physics: Theory and Applications (Eds A. Otero de la Roza, G. DiLabio) 2017, in press (Elsevier: Amsterdam).

[327]  A. Grüneis, J. Chem. Phys. 2015, 143, 102817.
         | Crossref | GoogleScholarGoogle Scholar | 26374010PubMed |

[328]  Z. Rolik, L. Szegedy, I. Ladjánszki, B. Ladóczki, M. Kállay, J. Chem. Phys. 2013, 139, 094105.
         | Crossref | GoogleScholarGoogle Scholar | 24028100PubMed |

[329]  E. Voloshina, Phys. Rev. B 2012, 85, 045444.
         | Crossref | GoogleScholarGoogle Scholar |

[330]  D. Usvyat, L. Maschio, M. Schütz, J. Chem. Phys. 2015, 143, 102805.
         | Crossref | GoogleScholarGoogle Scholar | 26373998PubMed |

[331]  M. Del Ben, J. Hutter, J. VandeVondele, J. Chem. Phys. 2015, 143, 102803.
         | Crossref | GoogleScholarGoogle Scholar | 26373996PubMed |

[332]  H. Stoll, B. Paulus, P. Fulde, Chem. Phys. Lett. 2009, 469, 90.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXpvFSjsQ%3D%3D&md5=ad9f9e3bc731f245aa87b95fb88ca3b9CAS |

[333]  B. Paulus, Phys. Rep. 2006, 428, 1.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XjtVOiu7Y%3D&md5=98482464f1e01b4df2a7c24247ef4f49CAS |

[334]  C. Muller, B. Paulus, Phys. Chem. Chem. Phys. 2012, 14, 7605.
         | Crossref | GoogleScholarGoogle Scholar | 22373600PubMed |

[335]  M. Marsman, A. Grüneis, J. Paier, G. Kresse, J. Chem. Phys. 2009, 130, 184103.
         | Crossref | GoogleScholarGoogle Scholar | 1:STN:280:DC%2BD1MzltlajsA%3D%3D&md5=d1f25725f481323d7ed0bd81c1d43257CAS | 19449904PubMed |

[336]  E. Voloshina, B. Paulus, J. Chem. Theory Comput. 2014, 10, 1698.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXivFyrsrk%3D&md5=f994edcbc1cd574939afc58fbbe7e40fCAS | 26580378PubMed |

[337]  M. P. de Lara-Castells, R. Fernandez-Perea, F. Madzharova, E. Voloshina, J. Chem. Phys. 2016, 144, 244707.
         | Crossref | GoogleScholarGoogle Scholar | 27369533PubMed |

[338]  H. Stoll, Phys. Rev. B 1992, 46, 6700.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK38XlvFyrsrk%3D&md5=416d5521c11be474a5b8f6b6ffc76155CAS |

[339]  H. Stoll, J. Chem. Phys. 1992, 97, 8449.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3sXmsl2iuro%3D&md5=f39084e437e8f5cd49c441a3e2d61efdCAS |

[340]  M. P. de Lara-Castells, A. O. Mitrushchenkov, H. Stoll, J. Chem. Phys. 2015, 143, 102804.
         | Crossref | GoogleScholarGoogle Scholar | 26373997PubMed |

[341]  M. J. Gillan, D. Alfè, P. J. Bygrave, C. R. Taylor, F. R. Manby, J. Chem. Phys. 2013, 139, 114101.
         | Crossref | GoogleScholarGoogle Scholar | 1:STN:280:DC%2BC2c7ivFWjuw%3D%3D&md5=5e20afdfde3ea90bfb37c8a630f25f4eCAS | 24070273PubMed |

[342]  G. H. Booth, A. Grüneis, G. Kresse, A. Alavi, Nature 2013, 493, 365.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC38XhvV2ntbbL&md5=891d84478d228ee8a3303988643c98f1CAS | 23254929PubMed |

[343]  L. Schimka, J. Harl, A. Stroppa, A. Grüneis, M. Marsman, F. Mittendorfer, G. Kresse, Nat. Mater. 2010, 9, 741.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXhtVGlsr%2FK&md5=ee95c1db8c53e2b8be34df1c304c5038CAS | 20657589PubMed |

[344]  M. P. de Lara-Castells, H. Stoll, B. Civalleri, M. Causa, E. Voloshina, A. O. Mitrushchenkov, M. Pi, J. Chem. Phys. 2014, 141, 151102.
         | Crossref | GoogleScholarGoogle Scholar | 25338874PubMed |

[345]  M. P. de Lara-Castells, M. Bartolomei, A. O. Mitrushchenkov, H. Stoll, J. Chem. Phys. 2015, 143, 194701.
         | Crossref | GoogleScholarGoogle Scholar | 26590547PubMed |

[346]  A. Heßelmann, G. Jansen, M. Schütz, J. Chem. Phys. 2005, 122, 014103.
         | Crossref | GoogleScholarGoogle Scholar |

[347]  A. Heßelmann, J. Chem. Phys. 2008, 128, 144112.
         | Crossref | GoogleScholarGoogle Scholar | 18412428PubMed |

[348]  M. Pitoňák, A. Heßelmann, J. Chem. Theory Comput. 2010, 6, 168.
         | Crossref | GoogleScholarGoogle Scholar | 26614329PubMed |

[349]  C. Tuma, J. Sauer, J. Chem. Phys. 2015, 143, 102810.
         | Crossref | GoogleScholarGoogle Scholar | 26374003PubMed |

[350]  Y. S. Al-Hamdani, M. Ma, D. Alfè, O. A. von Lilienfeld, A. Michaelides, J. Chem. Phys. 2015, 142, 181101.
         | Crossref | GoogleScholarGoogle Scholar | 25978876PubMed |

[351]  G. H. Booth, A. J. W. Thom, A. Alavi, J. Chem. Phys. 2009, 131, 054106.
         | Crossref | GoogleScholarGoogle Scholar | 19673550PubMed |

[352]  S. Grimme, J. Antony, S. Ehrlich, H. Krieg, J. Chem. Phys. 2010, 132, 154104.
         | Crossref | GoogleScholarGoogle Scholar | 20423165PubMed |

[353]  S. Grimme, S. Ehrlich, L. Goerigk, J. Comput. Chem. 2011, 32, 1456.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXjsF2isL0%3D&md5=738d507a3e0a68831e1f4257fbe0c764CAS | 21370243PubMed |

[354]  A. D. Becke, E. R. Johnson, J. Chem. Phys. 2007, 127, 154108.
         | Crossref | GoogleScholarGoogle Scholar | 17949133PubMed |

[355]  A. Tkatchenko, R. A. Distasio, R. Car, M. Scheffler, Phys. Rev. Lett. 2012, 108, 236402.
         | Crossref | GoogleScholarGoogle Scholar | 23003978PubMed |

[356]  V. G. Ruiz, W. Liu, A. Tkatchenko, Phys. Rev. B 2016, 93, 035118.
         | Crossref | GoogleScholarGoogle Scholar |

[357]  A. Tkatchenko, Adv. Funct. Mater. 2015, 25, 2054.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXitVWhu7nM&md5=0fc1e47fbee2c0711bed9a4cb15a292aCAS |

[358]  A. M. Reilly, A. Tkatchenko, Chem. Sci. 2015, 6, 3289.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXlsVyjs7Y%3D&md5=cf6b908a6788beafee8adbcd8a59c16aCAS |

[359]  A. Ambrosetti, N. Ferri, R. A. DiStasio, A. Tkatchenko, Science 2016, 351, 1171.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28Xjs12gtrk%3D&md5=722f620d9d4c35f8227abd952c78456dCAS | 26965622PubMed |

[360]  T. Bucko, S. Lebegue, T. Gould, J. G. Angyan, J. Phys. Condens. Matter 2016, 28, 045201.
         | Crossref | GoogleScholarGoogle Scholar | 26753609PubMed |

[361]  E. R. Johnson, in Noncovalent Interactions in Quantum Chemistry and Physics: Theory and Applications (Eds A. Otero de la Roza, G. DiLabio) 2017, submitted (Elsevier: Amsterdam).

[362]  M. S. Christian, A. Otero-de-la-Roza, E. R. Johnson, J. Chem. Theory Comput. 2016, 12, 3305.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28XptVOjs70%3D&md5=33904b4097e6518b0fd31242a88eccfdCAS | 27253340PubMed |

[363]  J. R. Reimers, D. Panduwinata, J. Visser, Y. Chin, C. Tang, L. Goerigk, M. J. Ford, M. Sintic, T. J. Sum, M. J. J. Coenen, B. L. M. Hendriksen, J. A. A. W. Elemans, N. S. Hush, M. J. Crossley, J. Phys. Chem. C 2016, 120, 1739.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28Xis1Gqtg%3D%3D&md5=f727f58360434cabff664c9ee2e73504CAS |

[364]  J. Visser, N. Katsonis, J. Vicario, B. L. Feringa, Langmuir 2009, 25, 5980.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXjvF2gtrw%3D&md5=c5d670089c54305ba5a29f19c7b5d20bCAS | 19341279PubMed |

[365]  N. Katsonis, J. Vicario, T. Kudernac, J. Visser, M. M. Pollard, B. L. Feringa, J. Am. Chem. Soc. 2006, 128, 15537.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XhtFCjtb3O&md5=406433a1f40d57528a81675a2235d1b4CAS | 17132021PubMed |

[366]  Y. Chin, D. Panduwinata, M. Sintic, T. J. Sum, N. S. Hush, M. J. Crossley, J. R. Reimers, J. Phys. Chem. Lett. 2011, 2, 62.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXhs1SrsLzO&md5=77c6c19d9453326590bd82cb27893351CAS | 26295522PubMed |

[367]  B. Hulsken, R. Van Hameren, P. Thordarson, J. W. Gerritsen, R. J. M. Nolte, A. E. Rowan, M. J. Crossley, J. A. A. W. Elemans, S. Speller, Jpn. J. Appl. Phys. Part 1 2006, 45, 1953.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XkvFSltbg%3D&md5=765fbe0bc5a0d569df51664947022144CAS |

[368]  M. J. J. Coenen, D. den Boer, F. J. van den Bruele, T. Habets, K. A. A. M. Timmers, M. van der Maas, T. Khoury, D. Panduwinata, M. J. Crossley, J. R. Reimers, W. J. P. van Enckevort, B. L. M. Hendriksen, J. A. A. W. Elemans, S. Speller, Phys. Chem. Chem. Phys. 2013, 15, 12451.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXhtVyks7bF&md5=1c8a5a0a9d2c21462a8c081a48a33222CAS |

[369]  J. R. Reimers, M. J. Ford, L. Goerigk, Mol. Simul. 2016, 42, 494.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhvVamu7rN&md5=7575b47143e781815422dc78adba1c68CAS |

[370]  J. P. Perdew, W. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
         | 1:CAS:528:DyaK28XmsVCgsbs%3D&md5=80e9e7f93c4d868c24426c2d2790225cCAS | 10062328PubMed |

[371]  U. Mazur, K. W. Hipps, Chem. Commun. 2015, 51, 4737.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhtF2qt7g%3D&md5=90830b83b0bb2b327f14856f19993adfCAS |

[372]  L. Battezzati, C. Pisani, F. Ricca, J. Chem. Soc., Faraday Trans. II 1975, 71, 1629.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaE2MXlvVCjsr8%3D&md5=8aa0f9f5214995f45cf9d1a5d7d2c30bCAS |

[373]  S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Ghio, G. Alagona, J. S. Profeta, P. Weiner, J. Am. Chem. Soc. 1984, 106, 765.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2cXmsVCgug%3D%3D&md5=7dc8c68f84ed5dde8a274ef1f1154126CAS |

[374]  J. P. Perdew, Y. Wang, Phys. Rev. B 1992, 45, 13244.
         | Crossref | GoogleScholarGoogle Scholar |

[375]  S. Grimme, J. Antony, S. Ehrlich, H. Krieg, J. Chem. Phys. 2010, 132, 154104.
         | Crossref | GoogleScholarGoogle Scholar | 20423165PubMed |

[376]  S. Grimme, S. Ehrlich, L. Goerigk, J. Comput. Chem. 2011, 32, 1456.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXjsF2isL0%3D&md5=738d507a3e0a68831e1f4257fbe0c764CAS | 21370243PubMed |

[377]  F. M. Floris, J. Tomasi, J. L. Pascual Ahuir, J. Comput. Chem. 1991, 12, 784.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3MXls1Ort74%3D&md5=9734e4692d5e4d079e456a04cbb7c0b9CAS |

[378]  R. G. Pearson, J. Chem. Educ. 1968, 45, 581.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF1cXltVShs74%3D&md5=46ada80ae14abbca3751f85ec08d71f0CAS |

[379]  R. G. Pearson, Coord. Chem. Rev. 1990, 100, 403.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK3cXksFWgsLo%3D&md5=e01b86bd323d24fb039afd0ba7240af7CAS |

[380]  P. W. Ayers, R. G. Parr, R. G. Pearson, J. Chem. Phys. 2006, 124, 194107.
         | Crossref | GoogleScholarGoogle Scholar | 16729803PubMed |

[381]  B. Selinger, Chemistry in the Marketplace 1999 (Allen & Unwin: Sydney).

[382]  J. R. Reimers, M. J. Ford, A. Halder, J. Ulstrup, N. S. Hush, Proc. Natl. Acad. Sci. USA 2016, 113, E1424.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28Xjt12hsLk%3D&md5=e9bd331ec8897f072b3fef80f7938f5fCAS | 26929334PubMed |

[383]  P. K. Das, S. Samanta, A. B. McQuarters, N. Lehnert, A. Dey, Proc. Natl. Acad. Sci. USA 2016, 113, 6611.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28XptFWgsbY%3D&md5=e43c9828e4bb69c2e7200e2cc0b467b9CAS | 27302948PubMed |

[384]  H. Schmidbaur, A. Schier, Chem. Soc. Rev. 2008, 37, 1931.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXhtVOitb3O&md5=5e62131995a9457f97f1498ddb0543daCAS | 18762840PubMed |

[385]  P. Pyykko, Angew. Chem. Int. Ed. 2004, 43, 4412.
         | Crossref | GoogleScholarGoogle Scholar |

[386]  M. H. McAdon, W. A. Goddard, J. Chem. Phys. 1988, 88, 277.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL1cXhslersr0%3D&md5=b1a19ea82c5a0cc7928e533eda780b7dCAS |

[387]  M. H. McAdon, W. A. Goddard, J. Phys. Chem. 1988, 92, 1352.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL1cXhtF2iurw%3D&md5=45cb1f9543faec4421b04460bce28570CAS |

[388]  Y. Wang, Q.-J. Chi, J.-D. Zhang, N. S. Hush, J. R. Reimers, J. Ulstrup, J. Am. Chem. Soc. 2011, 133, 14856.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXhtFaks7vJ&md5=a790d836b015fa77430e2b3caf950835CAS | 21859147PubMed |

[389]  Y. Wang, Q. Chi, N. S. Hush, J. R. Reimers, J. Zhang, J. Ulstrup, J. Phys. Chem. C 2011, 115, 10630.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXlslKjtLo%3D&md5=48e58615013ddfc2704591351ecaf48cCAS |

[390]  Y. Wang, Q. Chi, N. S. Hush, J. R. Reimers, J. Zhang, J. Ulstrup, J. Phys. Chem. C 2009, 113, 19601.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1MXht1CrsrfI&md5=c5e43af5b57ad48090117312129f8f90CAS |

[391]  J. Yan, R. Ouyang, P. S. Jensen, E. Ascic, D. A. Tanner, B. Mao, J. Zhang, C. Tang, N. S. Hush, J. Ulstrup, J. R. Reimers, J. Am. Chem. Soc. 2014, 136, 17087.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2cXhvFKqtbfO&md5=af0257f153d0e0ca4c0521736982650aCAS | 25407476PubMed |

[392]  R. Ouyang, J. Yan, P. S. Jensen, E. Ascic, S. Gan, D. A. Tanner, B. Mao, L. Ni, J. Zhang, C. Tang, N. S. Hush, J. R. Reimers, J. Ulstrup, ChemPhysChem 2015, 16, 928.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXks1yrtrc%3D&md5=a539e0eb00ad8a04488bed372b0d1fabCAS | 25648513PubMed |

[393]  Q. Chi, J. Zhang, J. Ulstrup, J. Phys. Chem. B 2006, 110, 1102.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXhtlClsbzF&md5=ebb9a5ab1f6415ef50889addaa6ddec8CAS | 16471649PubMed |

[394]  Y. Wang, N. S. Hush, J. R. Reimers, J. Phys. Chem. C 2007, 111, 10878.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXntVCqt7o%3D&md5=af86cb082b2b0341d7bf8d547720838eCAS |

[395]  J. Zhang, A. Bilic, J. R. Reimers, N. S. Hush, J. Ulstrup, J. Phys. Chem. B 2005, 109, 15355.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXmtlSgu7o%3D&md5=98dd51acbcd263da43becda134d9ac1eCAS | 16852948PubMed |

[396]  Y. Wang, N. S. Hush, J. R. Reimers, J. Am. Chem. Soc. 2007, 129, 14532.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXht12gsrfJ&md5=d7851a1a7570bfc9c30d42ec30ddb6c6CAS | 17988124PubMed |

[397]  R. K. Chadha, R. Kumar, D. G. Tuck, Can. J. Chem. 1987, 65, 1336.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaL2sXmt1Crtbc%3D&md5=c2c6a54428fdac8943a96d0f5a062dd2CAS |

[398]  Y. Negishi, T. Tsukuda, J. Am. Chem. Soc. 2003, 125, 4046.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3sXhvF2lsbk%3D&md5=3fc565ad4e6a8990ad976ece103082aeCAS | 12670215PubMed |

[399]  M. Brust, M. Walker, D. Bethell, D. J. Schiffrin, R. Whyman, J. Chem. Soc. Chem. Commun. 1994, 801.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2cXjtVCmurk%3D&md5=91a6fadea8db439ffc208bd6ec6c5d90CAS |

[400]  P. J. G. Goulet, R. B. Lennox, J. Am. Chem. Soc. 2010, 132, 9582.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXnvVKqtb4%3D&md5=f707f4ed5fb19731548e4c5b8847e09dCAS |

[401]  Y. Li, O. Zaluzhna, Y. J. Tong, Langmuir 2011, 27, 7366.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3MXmtlyms7k%3D&md5=77341b36215a2dd169de40e7dbada098CAS | 21598931PubMed |

[402]  L. Zhu, C. Zhang, C. Guo, X. Wang, P. Sun, D. Zhou, W. Chen, G. Xue, J. Phys. Chem. C 2013, 117, 11399.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXmvFyrtbg%3D&md5=0b14bd9f94e1d6c1b21f2cb96e00798cCAS |

[403]  M. Brust, J. Fink, D. Bethell, D. J. Schiffrin, C. Kiely, J. Chem. Soc. Chem. Commun. 1995, 1655.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaK2MXns1yksrs%3D&md5=83ea52d685f7970a528530c9662926c4CAS |

[404]  M. K. Corbierre, R. B. Lennox, Chem. Mater. 2005, 17, 5691.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2MXhtFSjt7%2FO&md5=e9b16434c02c90a2e4d5618204e5efb6CAS |

[405]  E. A. Romero, J. L. Peltier, R. Jazzar, G. Bertrand, Chem. Commun. 2016, 52, 10563.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC28Xht1ygtrbO&md5=244acc1681d872a30c9564a635abcc58CAS |

[406]  M. G. Civit, X. Sanz, C. M. Vogels, C. Bo, S. A. Westcott, E. Fernández, Adv. Synth. Catal. 2015, 357, 3098.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC2MXhs1elurzP&md5=56a04c9e9c2255be33e1521c37f08f63CAS |

[407]  C. Solé, E. Fernández, Angew. Chem. Int. Ed. 2013, 52, 11351.
         | Crossref | GoogleScholarGoogle Scholar |

[408]  R. E. Davis, J. A. Gottbrath, J. Am. Chem. Soc. 1962, 84, 895.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DyaF38Xnslyntg%3D%3D&md5=f2c52ffbd05dff7ce54b792447900eecCAS |

[409]  T. Rangel, D. Kecik, P. E. Trevisanutto, G.-M. Rignanese, H. Van Swygenhoven, V. Olevano, Phys. Rev. B 2012, 86, 125125.
         | Crossref | GoogleScholarGoogle Scholar |

[410]  P. Maksymovych, D. C. Sorescu, J. T. Yates, Phys. Rev. Lett. 2006, 97, 146103.
         | Crossref | GoogleScholarGoogle Scholar | 17155271PubMed |

[411]  R. Mazzarello, A. Cossaro, A. Verdini, R. Rousseau, L. Casalis, M. F. Danisman, L. Floreano, S. Scandolo, A. Morgante, G. Scoles, Phys. Rev. Lett. 2007, 98, 016102.
         | Crossref | GoogleScholarGoogle Scholar | 1:STN:280:DC%2BD2s7lvVGmtg%3D%3D&md5=ad7e2885c93553554108e97a4500bff9CAS | 17358489PubMed |

[412]  A. Cossaro, R. Mazzarello, R. Rousseau, L. Casalis, A. Verdini, A. Kohlmeyer, L. Floreano, S. Scandolo, A. Morgante, M. L. Klein, G. Scoles, Science 2008, 321, 943.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXpslWrtb8%3D&md5=5fddb40776aeeb5625374115d7247d8fCAS | 18703737PubMed |

[413]  P. D. Jadzinsky, G. Calero, C. J. Ackerson, D. A. Bushnell, R. D. Kornberg, Science 2007, 318, 430.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2sXhtFOjtb%2FP&md5=ae7f9586aca151450f7c347955a891afCAS | 17947577PubMed |

[414]  D.-E. Jiang, M. L. Tiago, W. D. Luo, S. Dai, J. Am. Chem. Soc. 2008, 130, 2777.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXhsF2rtLk%3D&md5=bdc1c856c031c7620112e6fcd6ae4215CAS | 18257572PubMed |

[415]  J. R. Reimers, Y. Wang, B. O. Cankurtaran, M. J. Ford, J. Am. Chem. Soc. 2010, 132, 8378.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3cXmvFarsrs%3D&md5=6ccf308578d16c7d6e85310688740d75CAS | 20518461PubMed |

[416]  E. de la Llave, R. Clarenc, D. J. Schiffrin, F. J. Williams, J. Phys. Chem. C 2014, 118, 468.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BC3sXhvFSqsLrN&md5=7804915a4544e05b0a57df2a3f6c77c8CAS |

[417]  A. Chaudhuri, M. Odelius, R. G. Jones, T. L. Lee, B. Detlefs, D. P. Woodruff, J. Chem. Phys. 2009, 130, 124708.
         | Crossref | GoogleScholarGoogle Scholar | 1:STN:280:DC%2BD1M3ltFOgsg%3D%3D&md5=6a5b76769fdd23d187e86ed5f228a70cCAS | 19334873PubMed |

[418]  M. Konopka, R. Rousseau, I. Stich, D. Marx, J. Am. Chem. Soc. 2004, 126, 12103.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD2cXnt1GmsbY%3D&md5=d6aeeea2829aa17cbb2bda6d2f95029aCAS | 15382946PubMed |

[419]  J. A. Rodriguez, J. Dvorak, T. Jirsak, G. Liu, J. Hrbek, Y. Aray, C. Gonzalez, J. Am. Chem. Soc. 2003, 125, 276.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD38XovFygtbk%3D&md5=fe5cdd723f4777f14bf7a2cd87186f42CAS | 12515530PubMed |

[420]  V. De Renzi, R. Rousseau, D. Marchetto, R. Biagi, S. Scandolo, P. U. Del, Phys. Rev. Lett. 2005, 95, 046804.
         | Crossref | GoogleScholarGoogle Scholar | 1:STN:280:DC%2BD2MvkvFOgtw%3D%3D&md5=c2c14bbdd05ec89f942887b7247c0e03CAS | 16090833PubMed |

[421]  A. Bilic, J. R. Reimers, N. S. Hush, J. Chem. Phys. 2005, 122, 094708.
         | Crossref | GoogleScholarGoogle Scholar | 15836163PubMed |

[422]  H. Grönbeck, J. Phys. Chem. C 2010, 114, 15973.
         | Crossref | GoogleScholarGoogle Scholar |

[423]  T. Zhang, Z. Ma, L. Wang, J. Xi, Z. Shuai, Philos. Trans. R. Soc., A 2014, 372, 20130018.

[424]  M.-C. Bourg, A. Badia, R. B. Lennox, J. Phys. Chem. B 2000, 104, 6562.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD3cXkt1Gru74%3D&md5=4ff2115cd88dd88bdd1fd511a927b396CAS |

[425]  H. Grönbeck, A. Curioni, W. Andreoni, J. Am. Chem. Soc. 2000, 122, 3839.
         | Crossref | GoogleScholarGoogle Scholar |

[426]  P. C. Rusu, G. Brocks, J. Phys. Chem. B 2006, 110, 22628.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD28XhtVKiur%2FL&md5=5284b8472772ecedf374d88b91b3ee49CAS | 17092010PubMed |

[427]  Y. Li, G. Galli, F. Gygi, ACS Nano 2008, 2, 1896.
         | Crossref | GoogleScholarGoogle Scholar | 1:CAS:528:DC%2BD1cXhtVWmu73E&md5=db0c67b24c2ccf0a9f3afdd1e1572e9bCAS | 19206430PubMed |

[428]  http://www.gaussian.com/g_whitepap/thermo/thermo.pdf. Accessed 23 October 2016.