Vibrational Stark tuning rates from periodic DFT calculations: CO/Pt(1 1 1)

Electrochimica Acta

Volumn 53, Issue 6, 2008, Pages 2897-2906

  Curulla Ferré, Daniel ^a  

^a Hans)   (Netherlands)

Author keywords

Carbon monoxide; Density functional theory (DFT); Periodic calculations; Pt(1 1 1); Stark effect

Indexed keywords

ADSORPTION; CARBON MONOXIDE; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; SURFACE CHEMISTRY;

HIGH-COORDINATES SITES; PERIODIC CALCULATIONS; STARK TUNING RATES;

STARK EFFECT;

EID: 37549063610     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2007.11.001     Document Type: Article

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