Protonation and deprotonation of hydroxamic acids. An MO ab initio study
โ Scribed by Lazaro J. Yamin; Carlos A. Ponce; Mario R. Estrada; Francisco Tomas Vert
- Book ID
- 113258707
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 749 KB
- Volume
- 360
- Category
- Article
- ISSN
- 0166-1280
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๐ SIMILAR VOLUMES
An ab initio study of the low-lying states of protonated Sis was carried out at the HF/6-31G\*\* level. Five states were studied: 'A, ( I), 'A, (2), 'C+, 'A' and 'B,. 'A,(2) and 'Z+ were found to he transition states at the Hanree-Foek level. 'A' and 'B2 are the two possible candidates for the groun
Ab initio SCF molecular orbital calculations have been performed to ascertain the conformational preferences of protonated, neutral, and deprotonated amidine [HC(=NH)NHz], using the 3-21G split valence basis set. The states of eight stable species, eight transition states, and four higher-order sadd