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"A new method to locate saddle points for reactions in solution by using ..."

Ignacio Fdez. Galván, M. Elena Martín, Manuel A. Aguilar (2004)

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DOI: 10.1002/JCC.20048

access: closed

type: Journal Article

metadata version: 2020-04-01

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Ignacio Fdez. Galván, M. Elena Martín, Manuel A. Aguilar:
A new method to locate saddle points for reactions in solution by using the free-energy gradient method and the mean field approximation. J. Comput. Chem. 25(10): 1227-1233 (2004)

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