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An extension of ab initio molecular orbital theory to nuclear motion

✍ Scribed by Masanori Tachikawa; Kazuhide Mori; Hiromi Nakai; Kaoru Iguchi

Book ID
108312482
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
120 KB
Volume
290
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Conformational analysis of allylamine. A
Conformational analysis of allylamine. An ab initio molecular orbital study
✍ 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

An AB initio molecular orbital study of
An AB initio molecular orbital study of the PF2 radical
✍ 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.