Energy analysis of the chemical bond in group IV and V complexes: A density functional theory study

International Journal of Quantum Chemistry

Volumn 101, Issue 6, 2005, Pages 869-877

  Poleshchuk, O Kh ^a   Shevchenko, E L ^a   Branchadell, V ^b   Lein, M ^c   Frenking, G ^c  

^a TOMSK STATE PEDAGOGICAL UNIVERSITY   (Russian Federation)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^c PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

DFT calculations; Donor acceptor complexes; Nuclear quadrupole coupling constants; Organic ligands

Indexed keywords

ANTIMONY COMPOUNDS; CARRIER CONCENTRATION; CHARGE TRANSFER; COMPUTATIONAL METHODS; NIOBIUM COMPOUNDS; POLARIZATION; PROBABILITY DENSITY FUNCTION; TIN COMPOUNDS; TITANIUM COMPOUNDS;

DONOR-ACCEPTOR COMPLEXES; ENERGY ANALYSIS; ENERGY PARTITIONING ANALYSIS (EPA); NUCLEAR QUADRUPOLE COUPLING CONSTANTS; ORGANIC LIGANDS;

CHEMICAL BONDS;

EID: 13844271360     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20348     Document Type: Conference Paper

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