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INDO study of some substituted methylenes

✍ Scribed by Chow-Kwong Lee; Wai-Kee Li

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
342 KB
Volume
46
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Indo study of some cyclic carbenes
Indo study of some cyclic carbenes
✍ Chow-Kong Lee; Wai-Kee Li πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 389 KB
Some INDO calculations of 1J(PN) values
Some INDO calculations of 1J(PN) values
✍ S. Duangthai; G. A. Webb πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 280 KB

## Abstract Self consistent perturbation theory calculations of ^1^__J__(PN) are performed using INDO parameters. The change in sign of the coupling upon passing from tri‐ to penta‐valent phosphorus arises from the influence of the phosphorus lone‐pair electrons. The observed coupling trends are re

INDO study of bent radical anions
INDO study of bent radical anions
✍ Eric Westhof; Adolf MΓΌller πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 335 KB

INl?O method ha; been used to calc.Me the !k and p-proton coupling constants of some c-aboxyl akon radicak.. 'It is concludti that the deviation from piacuity in U~ese r&c& is approximately 6O. It is proposed that these radicals con-

Some INDO perturbation calculations of n
Some INDO perturbation calculations of nJ(NC) values
✍ Tun Khin; G. A. Webb πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 351 KB

## Abstract Standard INDO parameters are used in β€˜sum‐over‐states’ perturbation calculations of ^n^__J__(NC) in a variety of molecular environments. Good agreement with the experimental data is, in general, obtained when the integral products __S__~N~^2^(o)__S__~C~^2^(o) and γ€ˆ__r__^βˆ’3^〉~N~γ€ˆ__r__^βˆ’3