Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH + H chemical reaction
Author:
Funder
European Regional Development Fund
Research Promotion Foundation
Russian Foundation for Basic Research
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference43 articles.
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4. Charles H. Bennett, Molecular dynamics and transition state theory: the simulation of infrequent events, ACS Publications, 1977.
5. The low temperature D++H2 → HD+H+ reaction rate coefficient: A ring polymer molecular dynamics and quasi-classical trajectory study;Bhowmick;Phys. Chem. Chem. Phys.,2018
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