On the nature of copper-hydrogen bonding: AIM and NBO analysis of CuH n (1 ≤ n ≤ 6) complexes

International Journal of Quantum Chemistry

Volumn 110, Issue 3, 2010, Pages 524-531

  Uribe, Emilbus A ^a   Daza, Martha C ^a   Villaveces, José L ^b   Delgado, Silvia A ^a  

^a UNIVERSIDAD INDUSTRIAL DE SANTANDER   (Colombia)

^b UNIVERSIDAD DE LOS ANDES   (Colombia)

Author keywords

AIM; Copper hydrogen interactions; Density functional theory (DFT); NBO

Indexed keywords

ATOMS IN MOLECULES THEORY; CLOSED SHELLS; DENSITY FUNCTIONAL THEORY (DFT); DIHYDRIDES; H-BONDS; HYDROGEN BONDINGS; HYDROGEN INTERACTION; LAPLACIANS; NATURAL BOND ORBITAL; NBO ANALYSIS; TRANSITION STATE;

ASYMPTOTIC ANALYSIS; COMPLEXATION; COORDINATION REACTIONS; COPPER; DENSITY FUNCTIONAL THEORY; HYDROGEN; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

HYDROGEN BONDS;

EID: 73549085876     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22164     Document Type: Article

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