Effect of bond stretch excitation on the
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Ralph J. Wolf; Devinder S. Bhatia; William L. Hase
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Article
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1986
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Elsevier Science
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English
โ 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