Finding transition states using reduced potential-energy surfaces

Theoretical Chemistry Accounts

Volumn 105, Issue 6, 2001, Pages 463-472

  Bofill, Josep Maria ^a   Anglada, Josep Maria ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b DEPARTMENT OF ENVIRONMENTAL CHEMISTRY   (Spain)

Author keywords

Locating transition states; Restricted quasi Newton Raphson algorithm; Saddle points; Update Hessian matrix formula

Indexed keywords

EID: 0035608214     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140000252     Document Type: Article

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