Quantum chemical studies on a series of transition metal carbon dioxide complexes: Metal-carbon bonding and electronic structures

Molecular Physics

Volumn 111, Issue 2, 2013, Pages 259-267

  Liu, Chun Guang ^a,b  

^a NORTHEAST ELECTRIC POWER UNIVERSITY   (China)

^b NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

carbon dioxide; density functional theory; electronic structure; natural bond orbital; transition metal complex

Indexed keywords

ACTIVATION ANALYSIS; CHARGE TRANSFER; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; HYDROGEN BONDS; LIGANDS; METAL ANALYSIS; METAL COMPLEXES; MOLECULAR ORBITALS; RAPID THERMAL ANNEALING; STABILIZATION; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

ENERGY DECOMPOSITION ANALYSIS; FRONTIER MOLECULAR ORBITALS; HYPERCONJUGATION EFFECTS; NATURAL BOND ORBITAL; NATURAL BOND ORBITAL ANALYSIS; NUCLEOPHILIC REAGENT; QUANTUM CHEMICAL STUDIES; SECOND ORDER PERTURBATION;

CARBON DIOXIDE;

EID: 84873349275     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2012.718381     Document Type: Article

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