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Vibrational State-to-State Scattering of Water from Cu(111): Comparison of Quantum and Quasiclassical Methods with Normal Mode and Adiabatic Switching Sampling

Authors :
Jialu Chen
Bin Jiang
Liang Zhang
Source :
The Journal of Physical Chemistry C. 125:4995-5005
Publication Year :
2021
Publisher :
American Chemical Society (ACS), 2021.

Abstract

Vibrational energy transfer of a polyatomic molecule upon collision at a solid surface is of fundamental importance in surface chemistry. As a full quantum treatment of this process is extremely ch...

Details

ISSN :
19327455 and 19327447
Volume :
125
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry C
Accession number :
edsair.doi...........52d690bf2c68fbffbd57da0a16a3aa5d
Full Text :
https://doi.org/10.1021/acs.jpcc.1c00160