A constrained reduced-dimensionality search algorithm to follow chemical reactions on potential energy surfaces

Journal of Chemical Physics

Volumn 138, Issue 21, 2013, Pages

  Lankau, Timm ^a   Yu, Chin Hui ^a  

^a NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE DIPEPTIDES; CONFORMATIONAL CHANGE; CONTROL PARAMETERS; DYNAMIC CONSTRAINTS; INTERNAL COORDINATES; LINEAR COMBINATIONS; MINIMUM ENERGY PATHS; STATIC AND DYNAMIC;

AMINO ACIDS; CHEMICAL BONDS; CHLORINE COMPOUNDS; ELECTRON ENERGY LEVELS; QUANTUM CHEMISTRY;

ALGORITHMS;

EID: 84879138352     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4807743     Document Type: Article

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