Open AccessEffect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations
Author(s) -
Greg Collinge,
Simuck F. Yuk,
ManhThuong Nguyen,
MalSoon Lee,
VassilikiAlexandra Glezakou,
Roger Rousseau
Publication year - 2020
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.0c01501
Subject(s) - anharmonicity , statistical physics , chemical physics , molecular dynamics , chemistry , harmonic oscillator , potential energy , nanotechnology , physics , computational chemistry , materials science , quantum mechanics
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