A procedure for determining reaction paths and saddle points
- 1 April 1984
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 25 (4) , 667-675
- https://doi.org/10.1002/qua.560250405
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Comments on energy minimization in subspaces of coordinates and on “chemical hysteresis”International Journal of Quantum Chemistry, 1983
- Optimally conditioned optimization algorithms without line searchesMathematical Programming, 1975
- Computational evidence for a stable intermediate in the rearrangement of 1,2-dicarbahexaborane(6) to 1,6-dicarbahexaborane(6)Journal of the American Chemical Society, 1975
- Calculation of the least energy path on the energy hypersurfaceCollection of Czechoslovak Chemical Communications, 1975
- Thermochemistry of aliphatic alcohols determined by gas-phase ionic equilibriaJournal of the American Chemical Society, 1974
- Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital methodJournal of the American Chemical Society, 1972
- Formulation of the reaction coordinateThe Journal of Physical Chemistry, 1970
- A new approach to variable metric algorithmsThe Computer Journal, 1970
- Computational experience with quadratically convergent minimisation methodsThe Computer Journal, 1970
- An efficient method for finding the minimum of a function of several variables without calculating derivativesThe Computer Journal, 1964