"Parameterization of the ReaxFF reactive force field for a ..."

Pierre O. Hubin et al. (2016)

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DOI: 10.1002/JCC.24481

access: closed

type: Journal Article

metadata version: 2020-04-01

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Pierre O. Hubin, Denis Jacquemin, Laurence Leherte, Daniel P. Vercauteren:
Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reaction. J. Comput. Chem. 37(29): 2564-2572 (2016)

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