A minimization principle for transition paths of maximum flux for collective variables. | Theor Chem Acc;1362017 Jan. | MEDLINE

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A minimization principle for transition paths of maximum flux for collective variables.

Skeel, Robert D; Zhao, Ruijun; Post, Carol Beth.

Affiliation

Skeel RD; Department of Computer Science, Purdue University, West Lafayette, IN, 47906 USA.
Zhao R; Department of Mathematics and Statistics, Minnesota State University, Mankato, MN, 56001 USA.
Post CB; Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, IN, 47906 USA.

Theor Chem Acc ; 1362017 Jan.

Article in En | MEDLINE | ID: mdl-29225509

Key words

Minimum energy path; Reaction path

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Theor Chem Acc Year: 2017 Type: Article

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Theor Chem Acc Year: 2017 Type: Article