Finding pathways between distant local minima

Journal of Chemical Physics

Volumn 122, Issue 23, 2005, Pages

  Carr, Joanne M ^a   Trygubenko, Semen A ^a   Wales, David J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DISCRETE PATH SAMPLING (DPS); NUDGED ELASTIC BAND; POTENTIAL ENERGY SURFACE (PES); TRANSITION STATES;

BOUNDARY CONDITIONS; DATA PROCESSING; DATABASE SYSTEMS; EIGENVALUES AND EIGENFUNCTIONS; FULLERENES; INTERPOLATION; ISOMERS; LINEARIZATION; PHASE TRANSITIONS; POTENTIAL ENERGY; RATE CONSTANTS;

ALGORITHMS;

EID: 21644454399     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1931587     Document Type: Article

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