Classical molecular dynamics simulation of electronically non-adiabatic processes
نویسندگان
چکیده
منابع مشابه
Electronically non-adiabatic influences in surface chemistry and dynamics.
Electronically nonadiabatic interactions between molecules and metal surfaces are now well known. Evidence is particularly clear from studies of diatomic molecules that molecular vibration can be strongly coupled to electrons of the metal leading to efficient energy transfer between these two kinds of motion. Since molecular vibration is the same motion needed for bond breaking, it is logical t...
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ژورنال
عنوان ژورنال: Faraday Discussions
سال: 2016
ISSN: 1359-6640,1364-5498
DOI: 10.1039/c6fd00181e