Molecular point symmetry and the phase of the electronic wave function: Tools for the prediction of critical points of potential energy surfaces
- 1 November 1990
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 38 (5) , 699-711
- https://doi.org/10.1002/qua.560380511
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- A global approach to molecular symmetry: theorems on symmetry relations between ground- and excited-state configurationsJournal of the American Chemical Society, 1990
- The path of chemical reactions - the IRC approachAccounts of Chemical Research, 1981
- Reaction Paths on Multidimensional Energy HypersurfacesAngewandte Chemie International Edition in English, 1980
- Group theory and reaction mechanisms: Permutation theoretic prediction and computational support for pseudorotation modes in C2H and C5H rearrangementsInternational Journal of Quantum Chemistry, 1977
- On simple saddle points of a potential surface, the conservation of nuclear symmetry along paths of steepest descent, and the symmetry of transition statesThe Journal of Chemical Physics, 1976
- Group theoretical selection rules for the transition states of chemical reactionsJournal of the American Chemical Society, 1975
- Formulation of the reaction coordinateThe Journal of Physical Chemistry, 1970
- Statistical factors and the symmetry of transition statesTransactions of the Faraday Society, 1970
- Intersection of potential energy surfaces in polyatomic moleculesDiscussions of the Faraday Society, 1963
- Molecular VibrationsAmerican Journal of Physics, 1955