Reaction path analysis from potential energy contributions...

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Journal of Chemical Theory and Computation 2020 / 01

Reaction path analysis from potential energy contributions using forces: an accessible estimator of reaction coordinate adequacy

Foglia, Nicolas Oscar, González Lebrero, Mariano C., Biekofsky, Rodolfo, Estrin, Dario A
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01081
Date:
January, 2020
File:
PDF, 3.09 MB
english, 2020
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