Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4979712
Reference76 articles.
1. An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions
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