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Bond Indices in Solids: Extended Analytical Model
- 1.0363294 - ÚCHP 2012 RIV US eng J - Journal Article
Ponec, Robert
Bond Indices in Solids: Extended Analytical Model.
Journal of Computational Chemistry. Roč. 32, č. 14 (2011), s. 3114-3121. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR GA203/09/0118
Institutional research plan: CEZ:AV0Z4072921
Keywords : bonding in solids * metallic bond * bond indices
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.583, year: 2011
The analytical model suggested some time ago for the calculation of bond indices in infinite periodical structures was reconsidered and extended so as to provide not only realistic estimate of the extent of electron sharing localized among individual pairs of the atoms in the lattice but also to detect the eventual presence of multicenter bonding in metallic solids.
Permanent Link: http://hdl.handle.net/11104/0199275
Number of the records: 1