Effect of bond stretch excitation on the attenuation of bending forces

Ralph J. Wolf, Devinder S. Bhatia, William L. Hase

Research output: Contribution to journalArticlepeer-review

37 Scopus citations

Abstract

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 SiH2 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 O2·H bend in HO2.

Original languageEnglish
Pages (from-to)493-497
Number of pages5
JournalChemical Physics Letters
Volume132
Issue number6
DOIs
StatePublished - Dec 26 1986

Fingerprint Dive into the research topics of 'Effect of bond stretch excitation on the attenuation of bending forces'. Together they form a unique fingerprint.

Cite this