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 language | English |
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Pages (from-to) | 493-497 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 132 |
Issue number | 6 |
DOIs | |
State | Published - Dec 26 1986 |