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Effects of bond bending on the electronic structure of silane

✍ Scribed by Wilner, Martin; Adler, David; Eberhart, Mark E.; Johnson, Keith H.


Book ID
111963689
Publisher
American Institute of Physics
Year
1986
Tongue
English
Weight
438 KB
Volume
84
Category
Article
ISSN
0021-9606

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Effect of bond stretch excitation on the
✍ Ralph J. Wolf; Devinder S. Bhatia; William L. Hase πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 447 KB

Ab initio calculations are used to study the attenuation of HCC bending force constants in ethylene and propylene upon HC bond extension. The attenuations found for these two molecules and for CH4 and SiHz in previous work are nearly the same. To a good approximation, attenuation functions and param