Article ID Journal Published Year Pages File Type
5394778 Computational and Theoretical Chemistry 2012 10 Pages PDF
Abstract
► Time-dependent density functional theory method developed for NWChem program. ► TDDFT method determines surface enhanced Raman scattering (SERS) spectra. ► SERS spectra of pyridine interacting with a 20 atom silver cluster are calculated.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Time-dependent density functional methods for surface enhanced Raman scattering (SERS) studies
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