Comparative study of the H and D abstraction in the H + CH3D reaction with a ten-dimensional quantum dynamics model

The mode selectivity in the prototypical H + CH3D reaction is investigated by the initial state selected time-dependent wave packet method within a ten-dimensional quantum dynamics model. The model is a novel reduced dimensional model for the X + YCZ3 reaction, which allows the CZ3 to break C3V symm...

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Veröffentlicht in:	The Journal of chemical physics 2022-12, Vol.157 (22), p.224302-224302
Hauptverfasser:	Yang, Mingjuan, Cheng, Tong, Zheng, Rui, Song, Hongwei, Yang, Minghui
Format:	Artikel
Sprache:	eng
Schlagworte:	Bending Comparative studies Excitation Physics Quantum theory Selectivity Stretching Symmetry Vibrational states Wave packets
Online-Zugang:	Volltext
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