Quantum-chemical definition of the atomic valence in molecules and crystals
- 1 January 1991
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 81 (1-2) , 95-103
- https://doi.org/10.1007/bf01113380
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- The Electronic Structure of Copper Oxide Crystalline Compounds. I. LUC-CNDO Approach to the Electronic Structure of Cu2O and CuO CrystalsPhysica Status Solidi (b), 1990
- A concept of charge and valence forab initio wave functionsJournal of Computational Chemistry, 1989
- Comparison of atomic charges, valencies and bond orders in some hydrogen-bonded complexes calculated from Mulliken and Löwdin SCF density matricesJournal of Molecular Structure: THEOCHEM, 1987
- Bond index: relation to second-order density matrix and charge fluctuationsTheoretical Chemistry Accounts, 1985
- Natural population analysisThe Journal of Chemical Physics, 1985
- Valency. I. A quantum chemical definition and propertiesTheoretical Chemistry Accounts, 1983
- Bond indices and valencyJ. Chem. Soc., Dalton Trans., 1973
- On the Nonorthogonality ProblemPublished by Elsevier ,1970
- Semi-empirical all valence electrons SCF-MO-CNDO theoryTheoretical Chemistry Accounts, 1968
- Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutaneTetrahedron, 1968