A generalized synchronous transit method for transition state location

Computational Materials Science

Volumn 28, Issue 2, 2003, Pages 250-258

  Govind, Niranjan ^a   Petersen, Max ^a   Fitzgerald, George ^a   King Smith, Dominic ^a   Andzelm, Jan ^a  

^a ACCELRYS INC   (United States)

Author keywords

Barrier heights; Transition state location

Indexed keywords

DEPOSITION; MOLECULAR DYNAMICS; OPTIMIZATION; POTENTIAL ENERGY;

TRANSITION STATE LOCATIONS;

MATERIALS SCIENCE;

EID: 0142008382     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(03)00111-3     Document Type: Conference Paper

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