Ab initio theoretical study of three-centre bonding on the basis of bond index
Authors:
- A.B. SannigrahiASA.B. Sannigrahi
- T. KarTKT. Kar
- 1 January 2000
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 496 (1-3) , 1-17
Abstract
No abstract availableThis publication has 104 references indexed in Scilit:
- Hardness Profiles of Some 1,2-Hydrogen Shift ReactionsThe Journal of Physical Chemistry, 1995
- Is there any three‐center CBC bond in 1, 5‐C2B3H5 and 1,5‐C2B3H3?International Journal of Quantum Chemistry, 1995
- Covalent bond orders in the topological theory of atoms in moleculesJournal of the American Chemical Society, 1991
- 1,5-C2B3H5 and C5H8, 1,5-C2B3H3 and C5H6: Carborane-hydrocarbon structural analogs with unusual three-center bondsInternational Journal of Quantum Chemistry, 1991
- Quantum-chemical definition of the atomic valence in molecules and crystalsTheoretical Chemistry Accounts, 1991
- Charge distributions and effective atomic charges in transition-metal complexes using generalized atomic polar tensors and topological analysisThe Journal of Physical Chemistry, 1990
- The exact multicenter multipolar part of a molecular charge distribution and its simplified representationsThe Journal of Chemical Physics, 1988
- Atomic Charges and Electron Density PartitioningAustralian Journal of Physics, 1985
- The carbon 1-carbon 3 bond in [1.1.1]propellaneJournal of the American Chemical Society, 1984
- Localized molecular orbitals for cumulenes. Three-center bonds, fractional bonds, and bending force constantsJournal of the American Chemical Society, 1977