Vibrational modeling of copper-histamine complexes: Metal-ligand IR modes investigation

Journal of Physical Chemistry B

Volumn 113, Issue 45, 2009, Pages 15119-15127

  Xerri, Bertrand ^a   Flament, Jean Pierre ^b   Petitjean, Hugo ^a   Berthomieu, Catherine ^c   Berthomieu, Dorothee ^a  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b UNIV LILLE   (France)

^c IRFM   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; COORDINATION REACTIONS; INFRARED SPECTROSCOPY; METALS; PROTEINS; QUANTUM CHEMISTRY; VIBRATIONAL SPECTROSCOPY;

ACCURATE PREDICTION; ANHARMONIC CONTRIBUTIONS; B3LYP/6-31G; BAND SHIFT; BASIS SETS; CALCULATION METHODS; EXPERIMENTAL DATA; FAR-INFRARED; FUNCTIONALS; HYBRID DFT; IR DATA; LOW FREQUENCY; LOW-FREQUENCY MODES; METAL SITES; METAL SPHERES; NORMAL MODES; NORMAL-MODE FREQUENCIES; POTENTIAL ENERGY DISTRIBUTION; QUANTUM CHEMICAL CALCULATIONS; THEORETICAL CALCULATIONS; THEORETICAL INVESTIGATIONS; VIBRATION MODES; VIBRATIONAL FREQUENCIES; VIBRATIONAL MODES; VIBRATIONAL PROPERTIES;

COPPER COMPOUNDS;

EID: 72449125612     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905917z     Document Type: Article

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