General formulation of vibronic spectroscopy in internal coordinates.
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Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra.Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: The Role of Vibrational Effects.Toward a General Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional CoordinateEffective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route.Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches.Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification.Vibrationally resolved electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy.Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation.Computational simulation of vibrationally resolved spectra for spin-forbidden transitions.
P2860
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P2860
General formulation of vibronic spectroscopy in internal coordinates.
description
2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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name
General formulation of vibronic spectroscopy in internal coordinates.
@en
General formulation of vibronic spectroscopy in internal coordinates.
@nl
type
label
General formulation of vibronic spectroscopy in internal coordinates.
@en
General formulation of vibronic spectroscopy in internal coordinates.
@nl
prefLabel
General formulation of vibronic spectroscopy in internal coordinates.
@en
General formulation of vibronic spectroscopy in internal coordinates.
@nl
P2860
P50
P356
P1476
General formulation of vibronic spectroscopy in internal coordinates.
@en
P2093
Alberto Baiardi
Julien Bloino
P2860
P304
P356
10.1063/1.4942165
P407
P577
2016-02-01T00:00:00Z