Stabilization of the glycine zwitterionic form by complexation with Na+ and Cl−: an ab initio study
✍ Scribed by Ruslan M. Minyaev; Andrei G. Starikov; Vladimir I. Minkin
- Book ID
- 119767813
- Publisher
- Royal Society of Chemistry
- Year
- 2000
- Tongue
- English
- Weight
- 110 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0959-9436
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📜 SIMILAR VOLUMES
We report the results of an ab initio study of CI-. HOCI complexes. Structures and harmonic vibrational frequencies are determined using second-order Moller-Plesset perturbation theory and coupled-cluster methods. Two conformer S are found to be stable minima for the CI--HOCI complex. The minimum en
## Abstract The mechanisms for reactions of H, HO, and Cl with HOClO~3~, important elementary processes in the early stages of the ammonium perchlorate (AP) combustion reaction, have been investigated at the CCSD(T)/6‐311+G(3df,2p)//PW91PW91/6‐311+G(3df) level of theory. The rate constants for the