A note on the importance of including monoatomic overlap densities in the calculation of CNDO/2 charge distributions
- 1 January 1972
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 28 (1) , 99-102
- https://doi.org/10.1007/bf00528877
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
- Direct comparison of EH and CNDO charge distributions for adenineTheoretical Chemistry Accounts, 1972
- Molecular quadrupole moments by all valence electron semi-empirical calculations on molecules including the elements up to chlorineChemical Physics Letters, 1971
- An application of the CNDO/2 and INDO theories to the calculation of molecular quadrupole momentsChemical Physics Letters, 1971
- Structural effects of 3d orbitals in alkylidene phosphoranesJournal of the American Chemical Society, 1971
- Complete neglect of differential overlap calculations on second-row moleculesJournal of the American Chemical Society, 1968
- Approximate Self-Consistent Molecular Orbital Theory. IV. Calculations on Molecules Including the Elements Sodium through ChlorineThe Journal of Chemical Physics, 1967