𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio 4-21G gradient study of clavulanic acid

✍ Scribed by Berta Fernandez; Christian Alsenoy


Publisher
Springer
Year
1992
Tongue
English
Weight
466 KB
Volume
3
Category
Article
ISSN
1040-0400

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


An ab initio study of ascorbic acid
✍ G.L. Carlson; H. Cable; L.G. Pedersen πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 367 KB

The co~~orrn~t~ons of ascorbic acid and its singly ionized antio~ xc found to ngrcc with the X-my structures. The calcuktions arc discussed in terms of the known chemistry of ascorbic acid and its metabolitcs.

Conformational transitions and geometry
✍ Lothar SchΓ€fer; V. J. Klimkowski; Frank A. Momany; H. Chuman; C. Van Alsenoy πŸ“‚ Article πŸ“… 1984 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 672 KB

Energy pathways between the OR, P', Q q , and P-regions of the conformational energy surface of N-acetyl-Wmethylalanyl amide were obtained by SCF ab initio calculations on the 4-21G level, with gradient geometry optimization at each point. The calculations indicate that no barrier exists at this com