"Constrained numerical gradients and composite gradients: Practical tools ..."

Michael Stenrup, Roland Lindh, Ignacio Fdez. Galván (2015)

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DOI: 10.1002/JCC.23987

access: closed

type: Journal Article

metadata version: 2020-04-01

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Michael Stenrup, Roland Lindh, Ignacio Fdez. Galván:
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation. J. Comput. Chem. 36(22): 1698-1708 (2015)

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