"DiTe2: Calculating the diffusion tensor for flexible molecules."

Jonathan Campeggio, Antonino Polimeno, Mirco Zerbetto (2019)

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DOI: 10.1002/JCC.25742

access: closed

type: Journal Article

metadata version: 2022-10-02

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Jonathan Campeggio, Antonino Polimeno, Mirco Zerbetto:
DiTe2: Calculating the diffusion tensor for flexible molecules. J. Comput. Chem. 40(4): 697-705 (2019)

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