A new efficient method for locating saddle points
- 15 August 1981
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 82 (1) , 122-126
- https://doi.org/10.1016/0009-2614(81)85120-2
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Potential energy characteristics and energy partitioning in chemical reactions: A b i n i t i o MO study of four-centered elimination reaction CH3CH2F→CH2=CH2+HFThe Journal of Chemical Physics, 1980
- Analysis of an energy minimization method for locating transition states on potential energy hypersurfacesChemical Physics Letters, 1980
- Efficient determination and characterization of transition states using ab-initio methodsChemical Physics Letters, 1977
- On the H+F2→HF+F reaction. An ab initio potential energy surfaceThe Journal of Chemical Physics, 1973
- Potential Energy Surface Including Electron Correlation for the Chemical F + H2 → FH + H I. Preliminary SurfaceThe Journal of Chemical Physics, 1972
- 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
- The Convergence of a Class of Double-rank Minimization AlgorithmsIMA Journal of Applied Mathematics, 1970
- The Convergence of a Class of Double-rank Minimization Algorithms 1. General ConsiderationsIMA Journal of Applied Mathematics, 1970
- A new approach to variable metric algorithmsThe Computer Journal, 1970
- Conditioning of quasi-Newton methods for function minimizationMathematics of Computation, 1970