Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives.
about
A robust and effective time-independent route to the calculation of Resonance Raman spectra of large molecules in condensed phases with the inclusion of Duschinsky, Herzberg-Teller, anharmonic, and environmental effects.Watching orientational ordering at the nanoscale with coherent anti-stokes Raman microscopy.How Does Peripheral Functionalization of Ruthenium(II)-Terpyridine Complexes Affect Spatial Charge Redistribution after Photoexcitation at the Franck-Condon Point?Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3](2+) as a case studyQuantum-mechanical calculations of resonance Raman intensities: the weighted-gradient approximation.A charge-transfer surface enhanced Raman scattering model from time-dependent density functional theory calculations on a Ag10-pyridine complex.A general time-dependent route to resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects.Selective calculation of high-intensity vibrations in molecular resonance Raman spectra.Time dependent density functional theory investigation of the resonance Raman properties of the julolidinemalononitrile push-pull chromophore in various solvents.Resonance vibrational Raman optical activity: a time-dependent density functional theory approach.Nanostructured organic semiconductor films for molecular detection with surface-enhanced Raman spectroscopy.Comparison of simplified sum-over-state expressions to calculate resonance Raman intensities including Franck-Condon and Herzberg-Teller effects.Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach.Theoretical approach for optical response in electrochemical systems: application to electrode potential dependence of surface-enhanced Raman scattering.Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation.Linear complex polarization propagator in a four-component Kohn-Sham framework.Quasienergy formulation of damped response theory.A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy.The mechanism of N-Ag bonding determined tunability of surface-enhanced Raman scattering of pyridine on MAg (M = Cu, Ag, Au) diatomic clusters.Surface-enhanced Raman scattering as a higher-order Raman process
P2860
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P2860
Theory and method for calculating resonance Raman scattering from resonance polarizability derivatives.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Theory and method for calculat ...... ce polarizability derivatives.
@en
Theory and method for calculat ...... ce polarizability derivatives.
@nl
type
label
Theory and method for calculat ...... ce polarizability derivatives.
@en
Theory and method for calculat ...... ce polarizability derivatives.
@nl
prefLabel
Theory and method for calculat ...... ce polarizability derivatives.
@en
Theory and method for calculat ...... ce polarizability derivatives.
@nl
P2093
P2860
P356
P1476
Theory and method for calculat ...... ce polarizability derivatives.
@en
P2093
P2860
P304
P356
10.1063/1.2046670
P407
P577
2005-11-01T00:00:00Z