"Combined ab initio/empirical approach for optimization of Lennard-Jones ..."

I-Jen Chen, Daxu Yin, Alexander D. MacKerell Jr. (2002)

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DOI: 10.1002/JCC.1166

access: closed

type: Journal Article

metadata version: 2020-04-01

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I-Jen Chen, Daxu Yin, Alexander D. MacKerell Jr.:
Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds. J. Comput. Chem. 23(2): 199-213 (2002)

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