"Fast and accurate generation of ab initio quality atomic charges ..."

Brajesh K. Rai, Gregory A. Bakken (2013)

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DOI: 10.1002/JCC.23308

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type: Journal Article

metadata version: 2020-04-01

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Brajesh K. Rai, Gregory A. Bakken:
Fast and accurate generation of ab initio quality atomic charges using nonparametric statistical regression. J. Comput. Chem. 34(19): 1661-1671 (2013)

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