"Improving the efficiency and convergence of geometry optimization with the ..."

Hui Li, Jan H. Jensen (2004)

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DOI: 10.1002/JCC.20072

access: closed

type: Journal Article

metadata version: 2020-04-01

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Hui Li, Jan H. Jensen:
Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation. J. Comput. Chem. 25(12): 1449-1462 (2004)

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