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Conformational prediction for molecules containing vicinal lone pairs: Basis set studies for H2O2

PG Burton and BR Markey
30(2) pp.231 - 236


15 articles found in Crossref database.

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Chemical Physics Letters. 1982 92(5). p.483
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Molecular Physics. 1977 34(1). p.51
Theoretical determination of molecular structure and conformation. I. The role of basis set and correlation effects in calculations on hydrogen peroxide
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International Journal of Quantum Chemistry. 1998 68(5). p.329
AB initio molecular orbital studies of CF3O2H, CF3O2F and CF2(OF)2
Olsen John F.
Journal of Molecular Structure. 1978 49(2). p.361
Bond functions in CEPA-PNO computations of electronic structure. Basis set optimization studies in N2H2. Application to ozone and the stability of the bound cyclic conformer of O3
Burton Peter G.
International Journal of Quantum Chemistry. 2009 12(S11). p.207
Bond Functions and Core Correlation Energy Contributions To HeBe Potential
Shalabi A. S., Nour E. M., Abdel Halim W. S.
International Journal of Modern Physics C. 1998 09(07). p.1041
Bond functions and 3d polarization functions for fluorine bonded molecules
Lawlor L., Vasudevan K., Grein F.
Chemical Physics Letters. 1980 75(1). p.79
Peroxides (1983) (1983)
Exner Otto

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