"Optimization of the Lennard-Jones parameters for a combined ab initio ..."

Marek Freindorf, Jiali Gao (1996)

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DOI: 10.1002/(SICI)1096-987X(199603)17:4<386::AID-JCC1>3.0.CO;2-Q

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type: Journal Article

metadata version: 2020-04-01

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Marek Freindorf, Jiali Gao:
Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set. J. Comput. Chem. 17(4): 386-395 (1996)

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