Publications with the keyword "statistical mechanics"
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P. Lustemberg,
M. Bosco,
A. Bonivardi,
H. Busnengo, and
M. Ganduglia-Pirovano
Insights into the Nature of Formate Species in the Decomposition and Reaction of Methanol over Cerium Oxide Surfaces: A Combined Infrared Spectroscopy and Density Functional Theory Study
Journal of Physical Chemistry C (cited By 21),
119(37),
21452-21464,
2015
catalysts
cerium compounds
chemical bonds
computation theory
density functional theory
hydrogen bonds
hydrogen production
infrared spectroscopy
methanol
oxygen vacancies
quantum theory
reforming reactions
statistical mechanics
steam reforming
thermodynamics
water gas shift
asymmetric stretching
ceria-based catalysts
density functional theory studies
stabilizing effects
stable configuration
surface concentration
surface oxygen vacancies
temperature programmed surface reaction
surface reactions
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