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

Daxu Yin, Alexander D. MacKerell Jr. (1998)

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DOI: 10.1002/(SICI)1096-987X(199802)19:3<334::AID-JCC7>3.0.CO;2-U

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type: Journal Article

metadata version: 2020-04-01

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Daxu Yin, Alexander D. MacKerell Jr.:
Combined ab initio/empirical approach for optimization of Lennard-Jones parameters. J. Comput. Chem. 19(3): 334-348 (1998)

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