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"A grid-based algorithm in conjunction with a gaussian-based model of atoms ..."

Arghya Chakravorty, Emilio Gallicchio, Emil Alexov (2019)

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DOI: 10.1002/JCC.25786

access: closed

type: Journal Article

metadata version: 2020-05-30

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Arghya Chakravorty, Emilio Gallicchio, Emil Alexov:
A grid-based algorithm in conjunction with a gaussian-based model of atoms for describing molecular geometry. J. Comput. Chem. 40(12): 1290-1304 (2019)

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