A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy

Journal of Chemical Physics

Volumn 136, Issue 21, 2012, Pages

  Payton, John L ^a   Morton, Seth M ^a   Moore, Justin E ^a   Jensen, Lasse ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION SITE; ANALYTICAL GRADIENTS; DISCRETE INTERACTION; FORCE FIELDS; GEOMETRY OPTIMIZATION; LOCAL ELECTRIC FIELD; LOCAL ENVIRONMENTS; LOCAL FIELDS; LOCAL SURFACES; MECHANICAL METHODS; METAL SURFACES; PLASMON PEAKS; PYRIDINE MOLECULES; RAMAN ENHANCEMENT; SERS SPECTRUM; SURFACE ENHANCED RAMAN SPECTROSCOPY; SURFACE-ENHANCED RAMAN SCATTERING SPECTRUM; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

ADSORPTION; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; METAL NANOPARTICLES; OPTICAL PROPERTIES; PYRIDINE; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

MOLECULES;

EID: 84862548482     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4722755     Document Type: Article

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