Location of transition states and stable intermediates by MINIMAX/MINIMI optimization of synchronous transit pathways
- 1 January 1983
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 63 (4) , 269-290
- https://doi.org/10.1007/bf01151605
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- MNDOC study of reactive intermediates and transition statesJournal of the American Chemical Society, 1981
- Reaktionswege auf mehrdimensionalen EnergiehyperflächenAngewandte Chemie, 1980
- An addendum to a recent paper by Halgren, Lipscomb, and their co-workers concerning the relative accuracies of several current MO methodsJournal of the American Chemical Society, 1979
- Location of saddle points and minimum energy paths by a constrained simplex optimization procedureTheoretical Chemistry Accounts, 1979
- Speed and accuracy in molecular orbital calculations. A comparison of CNDO/2, INDO, PRDDO, STO-3G, and other methods, including AAMOM, VRDDO, and ESE MOJournal of the American Chemical Society, 1978
- The synchronous-transit method for determining reaction pathways and locating molecular transition statesChemical Physics Letters, 1977
- The intrinsic reaction coordinate. An a b i n i t i o calculation for HNC→HCN and H−+CH4→CH4+H−The Journal of Chemical Physics, 1977
- 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
- Analysis of least motion paths for molecular deformationsJournal of the American Chemical Society, 1974
- Application of the principle of least motion to organic reactions. Generalized approachJournal of the American Chemical Society, 1969