Efficient exploration of reaction paths via a freezing string method

Journal of Chemical Physics

Volumn 135, Issue 22, 2011, Pages

  Behn, Andrew ^a   Zimmerman, Paul M ^a   Bell, Alexis T ^a   Head Gordon, Martin ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE DIPEPTIDES; AUTOMATED TECHNIQUES; COMPLEX TRANSITIONS; CONFORMATION TRANSITIONS; COST SAVING; ETHYLENE DIMERIZATION; HIGH QUALITY; INITIAL GUESS; KINETIC CONSTANT; LINEAR SYNCHRONOUS TRANSIT; PRODUCT STRUCTURE; REACTION PATHS; SIMPLE METHOD; STRING METHODS; THEORETICAL CHEMISTRY; TRANSITION STATE; TRANSITION STATE STRUCTURE;

AMINO ACIDS; ELECTRON ENERGY LEVELS; ETHYLENE; FREEZING; INTERPOLATION; OPTIMIZATION;

RATE CONSTANTS;

EID: 83755225749     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3664901     Document Type: Article

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