Open AccessExploring non-adiabaticity to CO reduction reaction through ab initio molecular dynamics simulation
Author(s) -
Fan Zheng,
LinWang Wang
Publication year - 2020
Publication title -
apl materials
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.571
H-Index - 60
ISSN - 2166-532X
DOI - 10.1063/5.0002318
Subject(s) - adiabatic process , time dependent density functional theory , density functional theory , ab initio , molecular dynamics , materials science , ab initio quantum chemistry methods , chemical physics , computational chemistry , chemistry , thermodynamics , molecule , physics , organic chemistry
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