Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions.
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Absolute configurations of DNA lesions determined by comparisons of experimental ECD and ORD spectra with DFT calculationsA complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion.Complex polarization propagator calculations of magnetic circular dichroism spectra.Calculation of the magnetic circular dichroism B term from the imaginary part of the Verdet constant using damped time-dependent density functional theory.Near-edge x-ray absorption and natural circular dichroism spectra of L-alanine: a theoretical study based on the complex polarization propagator approach.A perspective on nonresonant and resonant electronic response theory for time-dependent molecular properties.Linear complex polarization propagator in a four-component Kohn-Sham framework.On the origin of the very strong two-photon activity of squaraine dyes--a standard/damped response theory study.Quasienergy formulation of damped response theory.Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theory.Modeling solvent effects on chiroptical properties
P2860
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P2860
Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions.
description
2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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name
Density-functional theory calc ...... nd resonant frequency regions.
@en
Density-functional theory calc ...... nd resonant frequency regions.
@nl
type
label
Density-functional theory calc ...... nd resonant frequency regions.
@en
Density-functional theory calc ...... nd resonant frequency regions.
@nl
prefLabel
Density-functional theory calc ...... nd resonant frequency regions.
@en
Density-functional theory calc ...... nd resonant frequency regions.
@nl
P2860
P50
P356
P1476
Density-functional theory calc ...... nd resonant frequency regions.
@en
P2860
P304
P356
10.1063/1.1647515
P407
P577
2004-03-01T00:00:00Z