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Effect of bond stretch excitation on the attenuation of bending forces

✍ Scribed by Ralph J. Wolf; Devinder S. Bhatia; William L. Hase

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 447 KB
Volume: 132
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)87110-x

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✦ Synopsis

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 parameters are transferable between these molecules. In contrast to these similar bend attenuations, a decidedly more rapid attenuation is found for the Or--H bend in HO*.

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