Density functional theory studies of Aun +(CH 3OH)m (n = 3, 5, m = 1-5) complexes

Journal of Physical Chemistry A

Volumn 113, Issue 7, 2009, Pages 1353-1359

  Li, Ying Chun ^a   Yang, Chuan Lu ^a   Sun, Mei Yu ^a   Li, Xiao Xia ^a   An, Yi Peng ^a   Wang, Mei Shan ^a   Xiao Guang, Ma ^a   Wang, De Hua ^a  

^a LUDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION SITES; C-O STRETCHING; CO-ORDINATION NUMBERS; DENSITY FUNCTIONAL; DENSITY-FUNCTIONAL THEORIES; DOMINANT FACTORS; EXPERIMENTAL OBSERVATIONS; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRIC PARAMETERS; GOLD CLUSTERS; GOLD IONS; METHANOL MOLECULES; POSITIVE CHARGES; RED SHIFTS; SINGLE MOLECULES; SMALL CLUSTERS; VIBRATIONAL FREQUENCIES;

ADSORPTION; COORDINATION REACTIONS; ELECTRONIC PROPERTIES; GOLD; GOLD COMPOUNDS; METHANOL; MOLECULES;

DENSITY FUNCTIONAL THEORY;

EID: 64149096091     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp808040v     Document Type: Article

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