Počet záznamů: 1
Bond Indices in Solids: Extended Analytical Model
- 1.0363294 - ÚCHP 2012 RIV US eng J - Článek v odborném periodiku
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
Grant CEP: GA ČR GA203/09/0118
Výzkumný záměr: CEZ:AV0Z4072921
Klíčová slova: bonding in solids * metallic bond * bond indices
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 4.583, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0199275
Počet záznamů: 1