Theoretical insights into the nature of nickel-carbon dioxide interactions in Ni(PH 3) 2(η 2-CO 2)

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12463-12473

  Kégl, Tamás ^a   Ponec, Robert ^b   Kollár, László ^a  

^a UNIVERSITY OF PÉCS   (Hungary)

^b INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

BACK-DONATION; BOND CRITICAL POINTS; BOND PATHS; CHARGE DECOMPOSITION ANALYSIS; COORDINATION BEHAVIOR; DFT CALCULATION; ELECTRON DONATION; ELECTRON LOCALIZATION FUNCTION; FERMI HOLES; KINETIC ENERGY DENSITY; MODEL COMPOUND; NATURAL BOND ORBITAL; PHOSPHANE LIGANDS; PHOSPHORUS ATOM; QUANTUM THEORY OF ATOMS IN MOLECULES;

COMPLEXATION; DENSITY FUNCTIONAL THEORY; DOMAIN DECOMPOSITION METHODS; ELECTRONIC STRUCTURE; LIGANDS; PHOSPHORUS; QUANTUM THEORY;

CARBON DIOXIDE;

CARBON DIOXIDE; NICKEL; ORGANOMETALLIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

CARBON DIOXIDE; MOLECULAR STRUCTURE; NICKEL; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY;

EID: 80855150868     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp201140h     Document Type: Article

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