Interplay between the gentlest ascent dynamics method and...

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Journal of Chemical Theory and Computation 2019 / 08

Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition states

Bofill, Josep Maria, Ribas-Arino, Jordi, Valero, Rosendo, Albareda, Guillermo, Moreira, Ibério de P.R., Quapp, Wolfgang
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b01061
Date:
August, 2019
File:
PDF, 2.32 MB
english, 2019
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