Topological analysis of electron densities: Is the presence of an atomic interaction line in an equilibrium geometry a sufficient condition for the existence of a chemical bond?

Chemistry - A European Journal

Volumn 10, Issue 18, 2004, Pages 4416-4421

  Haaland, Arne ^a   Shorokhov, Dimitry J ^b   Tverdova, Natalya V ^c  

^a UNIVERSITY OF OSLO   (Norway)

^b UNIVERSITY OF AUGSBURG   (Germany)

^c IVANOVO STATE UNIVERSITY OF CHEMISTRY AND TECHNOLOGY   (Russian Federation)

Author keywords

Bond energy; Bond theory; Charge density; Density functional calculations; Inclusion compounds

Indexed keywords

CARRIER CONCENTRATION; DISSOCIATION; HELIUM; PROBABILITY DENSITY FUNCTION; STRUCTURE (COMPOSITION); TOPOLOGY;

ATOMIC INTERACTION LINES; ENERGETICS; TOPOLOGICAL ANALYSIS;

CHEMICAL BONDS;

ADAMANTANE; HELIUM;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL INTERACTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRON; ENERGY TRANSFER;

ADAMANTANE; ELECTRONS; HELIUM; MODELS, CHEMICAL; THERMODYNAMICS;

EID: 4744349320     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400663     Document Type: Article

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