Following the streambed reaction on potential-energy surfaces: A new robust method

Theoretical Chemistry Accounts

Volumn 105, Issue 2, 2000, Pages 145-155

  Quapp, Wolfgang ^a   Hirsch, Michael ^a   Heidrich, Dietmar ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

Gradient extremal; Potential energy surface; Reaction path following; Reduced gradient; Saddle point

Indexed keywords

EID: 0034555694     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140000192     Document Type: Article

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