Geometry optimizations of unstable intermediates by the generalized hartree-fock (GHF) method
- 1 January 1978
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 53 (1) , 109-114
- https://doi.org/10.1016/0009-2614(78)80402-3
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Efficient determination and characterization of transition states using ab-initio methodsChemical Physics Letters, 1977
- Direct calculation of the energy gradient with cartesian Gaussian basis setsTheoretical Chemistry Accounts, 1976
- Electronic structures of antiaromatic moleculesChemical Physics Letters, 1975
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- MINDO [modified intermediate neglect of differential overlap]/3 study of the bisdehydrobenzenesJournal of the American Chemical Society, 1974
- Dyanmics of organic reactionsJournal of the American Chemical Society, 1973
- A molecular-orbital theoretical classification of reactions of singlet ground-state moleculesChemical Physics Letters, 1973
- MINDO [modified intermediate neglect of differential overlap]/3 study of cyclopentadienyl(1+) and cyclopentadienyl(1-) ionsJournal of the American Chemical Society, 1973
- Cyclopentadienyl and related (CH)5+ cationsJournal of the American Chemical Society, 1973
- Optimization of the basis functions in SCF MO calculations optimized one-center SCF MO basis set for HCLTheoretical Chemistry Accounts, 1967