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Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential

Marek Freindorf, Yihan Shao, Thomas R. Furlani, Jing Kong. Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential. Journal of Computational Chemistry, 26(12):1270-1278, 2005. [doi]

Authors

Marek Freindorf

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Yihan Shao

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Thomas R. Furlani

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Jing Kong

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