Minimum Energy Paths and Transition States by Curve Optimization.

Vaucher, Alain C; Reiher, Markus

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Minimum Energy Paths and Transition States by Curve Optimization.

Vaucher, Alain C; Reiher, Markus.

Affiliation

Vaucher AC; Laboratorium für Physikalische Chemie , ETH Zürich , Vladimir-Prelog-Weg 2 , CH-8093 Zürich , Switzerland.
Reiher M; Laboratorium für Physikalische Chemie , ETH Zürich , Vladimir-Prelog-Weg 2 , CH-8093 Zürich , Switzerland.

J Chem Theory Comput ; 14(6): 3091-3099, 2018 Jun 12.

Article in En | MEDLINE | ID: mdl-29648812

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2018 Document type: Article Affiliation country: Switzerland Country of publication: United States