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Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations
Kandel, Saugat, Salomon-Ferrer, Romelia, Larsen, Adrien B., Jain, Abhinandan, Vaidehi, NagarajanVolume:
144
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4939532
Date:
January, 2016
File:
PDF, 5.10 MB
english, 2016