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Energy of the highest filled molecular orbital and antiserotonin properties of drugs

✍ Scribed by V. G. Vinokurov; I. N. Pidevich


Book ID
104952065
Publisher
Springer US
Year
1971
Tongue
English
Weight
256 KB
Volume
71
Category
Article
ISSN
0007-4888

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## Abstract A regression based model was developed to determine whether highest occupied molecular orbital (HOMO) energies, calculated using Kohn‐Sham orbital density functional theory (DFT), could be used to estimate the OH rate constants of hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs),