52
2 Computational Methods
Werner H-J, Knowles PJ, Knizia G, Manby FR, Schütz M (2012) A general purpose quantum
chemistry program package. WIREs Comput Mol Sci 2:242–253
Westheimer FH, Meyer JE (1946) The theory of the racemization of optically active derivatives of
diphenyl. J Chem Phys 14:733–738
Wiberg KB, Rablen PR (2018) Atomic charges. J Org Chem 83:15463–15469
Woon DE, Dunning TH Jr (1995) Gaussian basis sets for use in correlated molecular calculations.
V. Core-valence basis sets for boron through neon. J Chem Phys 103:4572–4585
2 Computational Methods
Werner H-J, Knowles PJ, Knizia G, Manby FR, Schütz M (2012) A general purpose quantum
chemistry program package. WIREs Comput Mol Sci 2:242–253
Westheimer FH, Meyer JE (1946) The theory of the racemization of optically active derivatives of
diphenyl. J Chem Phys 14:733–738
Wiberg KB, Rablen PR (2018) Atomic charges. J Org Chem 83:15463–15469
Woon DE, Dunning TH Jr (1995) Gaussian basis sets for use in correlated molecular calculations.
V. Core-valence basis sets for boron through neon. J Chem Phys 103:4572–4585