CH2CHCH: A key isomer of propyne. adsorption structures and IR spectra on Cu(111)

Journal of Physical Chemistry C

Volumn 113, Issue 3, 2009, Pages 950-964

  Martorell, Ben Jamí ^a   Clotet, Anna ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION PROPERTIES; ADSORPTION SITES; ADSORPTION STRUCTURES; CATALYTIC COUPLINGS; CIS STRUCTURES; CU(111); DENSITY FUNCTIONAL; GAS-PHASE; GENERALIZED GRADIENT APPROACHES; IR SPECTRUM; PROPYNE; SLAB MODELS; STABLE SPECIES; TERMINAL CARBON ATOMS; UNIT CELLS;

ADSORPTION; BENZENE; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; MOLECULAR SPECTROSCOPY;

ISOMERS;

EID: 65249135502     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8065458     Document Type: Article

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