A gradient-only algorithm for tracing a reaction path uphill to the saddle of a potential energy surface
- 3 May 1996
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 253 (3-4) , 286-292
- https://doi.org/10.1016/0009-2614(96)00255-2
Abstract
No abstract availableThis publication has 22 references indexed in Scilit:
- Direct inversion in the iterative subspace-induced acceleration of the ridge method for finding transition statesThe Journal of Chemical Physics, 1995
- A simple gradient method for locating saddlesChemical Physics Letters, 1994
- Dynamically defined reaction path (DDRP) methodJournal of Molecular Structure: THEOCHEM, 1994
- Quadratic steepest descent on potential energy surfaces. I. Basic formalism and quantitative assessmentThe Journal of Chemical Physics, 1993
- Analysis of the concept of minimum energy path on the potential energy surface of chemically reacting systemsTheoretical Chemistry Accounts, 1984
- Differential geometry of chemically reacting systemsTheoretical Chemistry Accounts, 1978
- Exact tunneling calculationsJournal of the American Chemical Society, 1971
- Formulation of the reaction coordinateThe Journal of Physical Chemistry, 1970
- Analytical Mechanics of Chemical Reactions. IV. Classical Mechanics of Reactions in Two DimensionsThe Journal of Chemical Physics, 1968
- Analytical Mechanics of Chemical Reactions. III. Natural Collision CoordinatesThe Journal of Chemical Physics, 1968