𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular conformations of formic anhydride and divinyl ether an ab initio molecular orbital study

✍ Scribed by Ian G. John; Leo Radom


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
924 KB
Volume
39
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Conformational analysis of allylamine. A
✍ James Kao; Jeffrey I. Seeman πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 575 KB

The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli

Ab initio molecular orbital study of 1-f
✍ G. I. Csonka; P. Hencsei πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 828 KB

## Abstract The molecular geometry of 1‐fluorosilatrane was optimized fully by restricted Hartree–Fock (HF) calculations using the 3‐21G, 3‐21G(__d__) and 6‐31G(__d__) basis sets, with the aim of locating the positions of the local minima on the energy hypersurface. The optimized geometries were co

An AB initio molecular orbital study of
✍ J.C. Cobb; A. Hinchliffe πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 129 KB

Kcccivud 4 Ocrobcr I97 3 Gaussian orbital calculations 01. the ESR coupling consrunts in the PI-2 radical arc prescnred, in cscellcnt agree mcnt with experiment.