A growing string method for determining transition states: Comparison to the nudged elastic band and string methods

Journal of Chemical Physics

Volumn 120, Issue 17, 2004, Pages 7877-7886

  Peters, Baron ^a   Heyden, Andreas ^b   Bell, Alexis T ^a   Chakraborty, Arup ^a,c  

^a University of California   (United States)

^b HAMBURG UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

NUDGED-ELASTIC-BAND (NEB); STRING METHODS; TRANSITION STATES;

ALGORITHMS; AMINO ACIDS; EIGENVALUES AND EIGENFUNCTIONS; ENERGY ABSORPTION; FORCE MEASUREMENT; OPTIMIZATION; PARAMETER ESTIMATION; POLYPEPTIDES; PROBLEM SOLVING; REACTION KINETICS; ROBUSTNESS (CONTROL SYSTEMS);

ELECTRONIC STRUCTURE;

EID: 2442486484     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1691018     Document Type: Article

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