A charge-transfer surface enhanced Raman scattering model from time-dependent density functional theory calculations on a Ag10 -pyridine complex

Journal of Chemical Physics

Volumn 132, Issue 21, 2010, Pages

  Birke, Ronald L ^a   Znamenskiy, Vasiliy ^a   Lombardi, John R ^a  

^a CITY COLLEGE OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE INTENSITY; AG CLUSTERS; AG ELECTRODE; AVERAGE DEVIATION; B3LYP CALCULATIONS; B3LYP/LANL2DZ; DFT CALCULATION; EXCITATION WAVELENGTH; EXPERIMENTAL SPECTRA; INTENSITY BORROWING; ISO SURFACE; OSCILLATOR STRENGTHS; OXIDATION-REDUCTION CYCLE; PYRIDINE MOLECULES; RAMAN CROSS SECTIONS; RAMAN MODES; RAMAN SHIFT; RELATIVE INTENSITY; SIMULATED RESULTS; SIMULATED SPECTRA; SURFACE-ENHANCED RAMAN SCATTERING SPECTRUM; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DFT; TOTALLY SYMMETRIC; VIBRATIONAL FREQUENCIES;

EXCITED STATES; MOLECULAR ORBITALS; NANOCLUSTERS; PYRIDINE; RAMAN SCATTERING; RESONANCE; SCATTERING;

DENSITY FUNCTIONAL THEORY;

ORGANOMETALLIC COMPOUND; PYRIDINE; PYRIDINE DERIVATIVE; SILVER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRODE; OXIDATION REDUCTION REACTION; QUANTUM THEORY; RAMAN SPECTROMETRY; SURFACE PROPERTY; TIME;

ELECTRODES; MODELS, CHEMICAL; ORGANOMETALLIC COMPOUNDS; OXIDATION-REDUCTION; PYRIDINES; QUANTUM THEORY; SILVER; SPECTRUM ANALYSIS, RAMAN; SURFACE PROPERTIES; TIME FACTORS;

EID: 77953554816     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3431210     Document Type: Article

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