Nonconventional hydrogen bonds: A theoretical study of [uracil-L] - (L = F, Cl, Br, I, Al, Ga, In) complexes

Journal of Physical Chemistry A

Volumn 112, Issue 41, 2008, Pages 10399-10404

  Martínez, Ana ^a,c   Dolgounitcheva, O ^b   Zakrzewski, V G ^b   Ortiz, J V ^b  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b AUBURN UNIVERSITY   (United States)

^c DEPARTAMENTO DE ECOLOGÍA FUNCIONAL Y EVOLUTIVA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANION COMPLEXES; DYSON ORBITALS; GEOMETRY OPTIMIZATIONS; HALIDE ANIONS; VERTICAL ELECTRON DETACHMENT ENERGIES;

ALUMINUM; BINDING SITES; CHLORINE COMPOUNDS; COMPLEXATION; COPPER; ELECTRON ENERGY LEVELS; ELECTRONS; FLOW INTERACTIONS; GALLIUM; HYDROGEN; HYDROGEN BONDS; IONS; SILVER; TRANSITION METALS;

NEGATIVE IONS;

HALOGEN; LIGAND; TRANSITION ELEMENT; URACIL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; HYDROGENATION;

COMPUTER SIMULATION; HALOGENS; HYDROGEN BONDING; HYDROGENATION; LIGANDS; MODELS, CHEMICAL; TRANSITION ELEMENTS; URACIL;

EID: 55149112846     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804946w     Document Type: Article

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