Basis set superposition effect on difference electrostatic molecular potential contour maps
- 1 July 1980
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 18 (1) , 165-171
- https://doi.org/10.1002/qua.560180123
Abstract
No abstract availableThis publication has 8 references indexed in Scilit:
- Molecular calculations with the nonempirical ab initioMODPOT, VRDDO, and MODPOT/VRDDO procedures. XI. Theoretical study of the [C6H5OH ⃛OC6H5]− molecular complex: Ab initioMODPOT/VRDDO calculations and electrostatic molecular potential contour mapsInternational Journal of Quantum Chemistry, 1980
- Possible improvements of the interaction energy calculated using minimal basis setsTheoretical Chemistry Accounts, 1979
- Uniform quality constrained gaussian basis setsCanadian Journal of Chemistry, 1977
- Molecular calculations with the MODPOT, VRDDO, and MODPOT/VRDDO procedures: I. HF, F2, HCl, Cl2, formamide, pyrrole, pyridine, and nitrobenzeneInternational Journal of Quantum Chemistry, 1976
- Gaussian basis sets suitable for accurate valence-shell calculations using the model potential methodThe Journal of Chemical Physics, 1975
- A comparative study of electrostatic potential maps obtained with different basis setsChemical Physics Letters, 1974
- Microwave spectrum and structure of hydrogen bonded water dimerThe Journal of Chemical Physics, 1974
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969