A general time-dependent route to resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects.
about
Wavelength dependent resonance Raman band intensity of broadband stimulated Raman spectroscopy of malachite green in ethanol.Optical response of the Cu2 S2 diamond core in Cu2II(NGuaS)2 Cl2.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.CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical ActivityMulticonfigurational Effects in Theoretical Resonance Raman Spectra.The Virtual Multifrequency Spectrometer: a new paradigm for spectroscopy.Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods.Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches.General formulation of vibronic spectroscopy in internal coordinates.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.Sub-50 fs excited state dynamics of 6-chloroguanine upon deep ultraviolet excitation.Comparison of simplified sum-over-state expressions to calculate resonance Raman intensities including Franck-Condon and Herzberg-Teller effects.Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation.Going beyond the vertical approximation with time-dependent density functional theory
P2860
Q35583174-8AE61CD6-06B1-48B0-ADA5-50F5FB966002Q36065030-C3260A31-CA4B-4A43-B109-1987C222C7BEQ38776889-7B3D5F6F-C12C-4E8A-8D0F-67FC5B8D79F5Q39783097-1F8F316F-1A2C-4FDE-9490-47BA6018FB53Q40313829-7563E077-7222-4C56-9AD7-7C4C9BA23609Q41693043-188F81F0-DF4E-4839-95F9-E5B23DCF06F2Q42084743-C340BE43-DA18-4823-A220-04DB02EF6346Q42641149-13D86A7E-1943-4759-AE5C-2E7042DFC71EQ46704020-BE3D6875-A3CC-42CE-9776-DE0959E93FD0Q47093504-80B5AD25-368C-4520-97CF-EA769A75018CQ47122396-65DA8452-2F38-4226-93F8-F7D5A134031CQ48374510-CDA576AC-ADF1-4521-AE7D-53012156CE94Q49498889-376FBB5D-A6F1-4C48-9893-CC4161E9A0C3Q50241528-372D19B9-24A6-44B4-8746-4C4BBB055BB1Q50713087-84710949-C0C4-421F-BD38-6DC3B021A714Q51323155-6F14CA73-1693-49A1-B467-EAC3BEB0F7ADQ57770361-D19835F0-54B5-440C-966C-551A0FAF55DA
P2860
A general time-dependent route to resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
2014年學術文章
@zh-hant
name
A general time-dependent route ...... Teller and Duschinsky effects.
@en
A general time-dependent route ...... Teller and Duschinsky effects.
@nl
type
label
A general time-dependent route ...... Teller and Duschinsky effects.
@en
A general time-dependent route ...... Teller and Duschinsky effects.
@nl
prefLabel
A general time-dependent route ...... Teller and Duschinsky effects.
@en
A general time-dependent route ...... Teller and Duschinsky effects.
@nl
P2860
P50
P356
P1476
A general time-dependent route ...... Teller and Duschinsky effects.
@en
P2093
Alberto Baiardi
Julien Bloino
P2860
P304
P356
10.1063/1.4895534
P407
P577
2014-09-01T00:00:00Z