From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X-H⋯F-Y systems

Journal of Chemical Physics

Volumn 117, Issue 12, 2002, Pages 5529-5542

  Espinosa, Enrique ^a   Alkorta, Ibon ^b   Elguero, José ^b   Molins, Elies ^c  

^a UNIVERSITÉ DE BOURGOGNE   (France)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^c UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTRONS; FLUORINE; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; PROTONS; TOPOLOGY;

BOND DEGREE PARAMETER; CLOSED SHELL INTERACTIONS; ELECTRON DENSITY DISTRIBUTION; ELECTRON PROPERTIES; MOLECULAR ORBITALS; SHARED SHELL INTERACTIONS; SOFTWARE PROGRAM GAMESS;

CARRIER CONCENTRATION;

EID: 0037159064     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1501133     Document Type: Article

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