Ab initio quantum organic chemistry—I
- 1 January 1971
- journal article
- Published by Elsevier in Tetrahedron
- Vol. 27 (19) , 4471-4493
- https://doi.org/10.1016/s0040-4020(01)98159-1
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force ConstantsThe Journal of Chemical Physics, 1970
- Molecular orbital theory of the electronic structure of organic compounds. III. Ab initio studies of charge distribution using a minimal Slater-type basisJournal of the American Chemical Society, 1970
- Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row MoleculesThe Journal of Chemical Physics, 1970
- Self-Consistent Molecular-Orbital Methods. III. Comparison of Gaussian Expansion and PDDO Methods Using Minimal STO Basis SetsThe Journal of Chemical Physics, 1969
- Self-Consistent Molecular-Orbital Methods. II. Projection of Diatomic Differential Overlap (PDDO)The Journal of Chemical Physics, 1969
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4The Journal of Chemical Physics, 1967
- Electronic structure of large molecular systemsJournal of Computational Physics, 1966
- Molecular Binding EnergiesJournal of the American Chemical Society, 1966
- Hartree—Fock Approximation of CH4 and NH4+The Journal of Chemical Physics, 1963