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Intermediate molecular species in the oxidation of hydrogen sulfide. An ab initio configuration interaction study

✍ Scribed by Besnainou, S.; Whitten, J. L.


Book ID
125989727
Publisher
American Chemical Society
Year
1980
Tongue
English
Weight
692 KB
Volume
102
Category
Article
ISSN
0002-7863

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## Abstract We examined CH/Ο€ hydrogen bonds in protein/ligand complexes involving at least one proline residue using the __ab initio__ fragment molecular orbital (FMO) method and the program CHPI. FMO calculations were carried out at the Hartree–Fock (HF)/6‐31G\*, HF/6‐31G\*\*, second‐order MΓΈller–