Analysis of the updated Hessian matrices for locating transition structures

Journal of Computational Chemistry

Volumn 16, Issue 11, 1995, Pages 1326-1338

  Bofill, Josep Maria ^a   Comajuan, Móanica ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000945686     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540161103     Document Type: Article

References (23)

1. Optimization of equilibrium geometries and transition structures
2. Locating transition states
3. An algorithm for the location of transition states
4. Updated Hessian matrix and the restricted step method for locating transition structures
5. A family of variable-metric methods derived by variational means