๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Protonation and deprotonation of hydroxamic acids. An MO ab initio study

โœ 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

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


An ab initio study of Si2C protonation
โœ A. Largo-Cabrerizo; J.R. Flores ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 428 KB
An ab initio study of Si3 protonation
โœ A. Largo-Cabrerizo ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 403 KB

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

An ab initio study of C2S protonation
โœ Carmen Barrientos; Antonio Largo ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 583 KB
An ab initio study of SiC2 protonation
โœ J.R. Flores; A. Largo-Cabrerizo; J. Largo-Cabrerizo ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 739 KB
An Ab initio study on the conformations
โœ Theresa Julia Zielinski; Michael R. Peterson; Imre G. Csizmadia; Robert Rein ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 422 KB ๐Ÿ‘ 1 views

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