A temperature-dependent nudged-elastic-band algorithm

Journal of Chemical Physics

Volumn 118, Issue 21, 2003, Pages 9563-9571

  Crehuet, Ramon ^a   Field, Martin J ^a  

^a CEA GRENOBLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; AMINO ACIDS; CALCULATIONS; COMPUTER SIMULATION; DIFFERENTIAL EQUATIONS; INTEGRAL EQUATIONS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; SURFACES; THERMAL EFFECTS; VACUUM;

ALANINE DIPEPTIDE; MINIMUM ENERGY REACTION PATH; MOLECULAR RATCHET; NUDGED ELASTIC BAND ALGORITHM; SMOLUCHOSKI EQUATION;

PHASE TRANSITIONS;

EID: 0038340986     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1571817     Document Type: Article

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