An optimized minimal contracted-gaussian basis set for organic PI-systems
- 15 February 1971
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 8 (4) , 361-365
- https://doi.org/10.1016/0009-2614(71)80064-7
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- Self-Consistent Molecular-Orbital Methods. VIII. Molecular Studies with Least Energy Minimal Atomic OrbitalsThe Journal of Chemical Physics, 1970
- Polyatomic SCF Calculations Utilizing Anisotropic Basis Sets of Slater-type OrbitalsThe Journal of Chemical Physics, 1969
- Molecular Quadrupole Moment, Molecular Magnetic Susceptibilities, and Molecular g Values in BenzeneThe Journal of Chemical Physics, 1969
- Benzene and Its Ionized StatesThe Journal of Chemical Physics, 1967
- Ethylene Molecule in a Gaussian Basis. II. Contracted BasesThe Journal of Chemical Physics, 1967
- Gaussian Expansions of Atomic OrbitalsJournal of the Physics Society Japan, 1966
- Barrier to Internal Rotation in EthaneThe Journal of Chemical Physics, 1966
- Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and EthyleneThe Journal of Chemical Physics, 1966
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965
- Electric-Field Gradients in Liquids by Deuteron Quadrupole RelaxationThe Journal of Chemical Physics, 1965