Surface‐enhanced Raman scattering of M2–pyrazine–M2 (M = Cu, Ag, Au): Analysis by natural perturbation orbitals and density functional theory functional dependence
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DOI: 10.1002/jcc.26205
Abstract: Here, we propose a new method to analyze various electronic properties of molecules based on natural perturbation orbitals (NPOs). We applied the proposed method to chemical enhancement of the surface‐enhanced Raman scattering (SERS) intensity of… read more here.
Keywords: surface enhanced; raman scattering; enhanced raman; perturbation orbitals ... See more keywords