Comparison of atomic charges, valencies and bond orders in some hydrogen-bonded complexes calculated from Mulliken and Löwdin SCF density matrices
- 1 September 1987
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 153 (1-2) , 93-101
- https://doi.org/10.1016/0166-1280(87)85007-8
Abstract
No abstract availableThis publication has 24 references indexed in Scilit:
- The quantum chemistry of valencyJournal of Chemical Sciences, 1986
- Bond index: relation to second-order density matrix and charge fluctuationsTheoretical Chemistry Accounts, 1985
- Classical chemical concepts from ab initio SCF calculationsTheoretical Chemistry Accounts, 1985
- Bond order and valence: Relations to Mulliken's population analysisInternational Journal of Quantum Chemistry, 1984
- On the quantum theory of valence and bonding from the ab intio standpointChemical Physics Letters, 1984
- Valency. I. A quantum chemical definition and propertiesTheoretical Chemistry Accounts, 1983
- Charge, bond order and valence in the AB initio SCF theoryChemical Physics Letters, 1983
- Sur la définition d’un indice de liaison (TEV) pour des bases non orthogonales. Propriétés et applicationsJournal de Chimie Physique et de Physico-Chimie Biologique, 1975
- Bond Order in LCAO Molecular Orbital TheoryThe Journal of Chemical Physics, 1972
- Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutaneTetrahedron, 1968