Testing ab initio procedures; The 6–31G∗ model
- 1 July 1987
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 138 (2-3) , 141-145
- https://doi.org/10.1016/0009-2614(87)80356-1
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- An analysis of predictions by the semi-empirical MNDO molecular orbital method for some aspects of molecular energeticsChemical Physics Letters, 1986
- Development and use of quantum molecular models. 75. Comparative tests of theoretical procedures for studying chemical reactionsJournal of the American Chemical Society, 1985
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- 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
- Ground states of molecules. 38. The MNDO method. Approximations and parametersJournal of the American Chemical Society, 1977
- Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygenJournal of the American Chemical Society, 1977
- Ground states of molecules. XXVII. MINDO/3 calculations for carbon, hydrogen, oxygen, and nitrogen speciesJournal of the American Chemical Society, 1975
- Ground states of molecules. XXVIII. MINDO/3 calculations for compounds containing carbon, hydrogen, fluorine, and chlorineJournal of the American Chemical Society, 1975
- Ground states of molecules. XXVI. MINDO/3 calculations for hydrocarbonsJournal of the American Chemical Society, 1975
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975