Analysis of critical points on the potential energy surface
- 1 January 1980
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 58 (1), 73-79
- https://doi.org/10.1007/bf00635725
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Biological response as a function of conformation, chirality, and electronic characteristics: A catecholamine studyInternational Journal of Quantum Chemistry, 1980
- Invariance criteria and symmetry conservation rules for geometry optimizationsTheoretical Chemistry Accounts, 1979
- Eine Variante des CNDO-Verfahrens unter Einbeziehung vond-FunktionenTheoretical Chemistry Accounts, 1978
- Chemical thermodynamic properties of ethylbenzeneThe Journal of Chemical Physics, 1978
- Ground states of molecules. 37. MINDO/3 calculations of molecular vibration frequenciesJournal of the American Chemical Society, 1977
- Reaction path properties at critical points on potential surfacesThe Journal of Chemical Physics, 1975
- 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
- Rapid geometry optimization for semi-empirical molecular orbital methodsChemical Physics Letters, 1971
- A new approach to variable metric algorithmsThe Computer Journal, 1970
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969