Conjugate peak refinement: an algorithm for finding reaction paths and accurate transition states in systems with many degrees of freedom
- 1 June 1992
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 194 (3) , 252-261
- https://doi.org/10.1016/0009-2614(92)85543-j
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Self-avoiding walk between two fixed points as a tool to calculate reaction paths in large molecular systemsInternational Journal of Quantum Chemistry, 1990
- A new technique to calculate steepest descent paths in flexible polyatomic systemsThe Journal of Chemical Physics, 1990
- Multiple Conformational States of Proteins: A Molecular Dynamics Analysis of MyoglobinScience, 1987
- A method for determining reaction paths in large molecules: Application to myoglobinChemical Physics Letters, 1987
- A statistical method for identifying transition states in high dimensional problemsThe Journal of Chemical Physics, 1986
- Locating transition statesThe Journal of Chemical Physics, 1984
- On finding transition statesThe Journal of Chemical Physics, 1981
- A new efficient method for locating saddle pointsChemical Physics Letters, 1981
- Location of saddle points and minimum energy paths by a constrained simplex optimization procedureTheoretical Chemistry Accounts, 1979
- A new method of saddle-point location for the calculation of defect migration energiesJournal of Physics C: Solid State Physics, 1974