Semiclassical molecular dynamics computation of spontaneous light emission in the condensed phase: Resonance Raman spectra

2001 ◽  
Vol 114 (16) ◽  
pp. 7130-7143 ◽  
Author(s):  
M. Ovchinnikov ◽  
V. A. Apkarian ◽  
Gregory A. Voth
Keyword(s):  
Molecular Dynamics ◽  
Raman Spectra ◽  
Condensed Phase ◽  
Light Emission ◽  
Resonance Raman ◽  
Resonance Raman Spectra ◽  
Phase Resonance

scholarly journals Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome

2020 ◽  
Vol 22 (16) ◽  
pp. 8585-8594 ◽  
Author(s):  
Veronica Macaluso ◽  
Lorenzo Cupellini ◽  
Giacomo Salvadori ◽  
Filippo Lipparini ◽  
Benedetta Mennucci
Keyword(s):  
Molecular Dynamics ◽  
Circular Dichroism ◽  
Raman Spectra ◽  
Resonance Raman ◽  
Vibronic Interactions ◽  
Resonance Raman Spectra ◽  
Structural Fluctuations ◽  
Circular Dichroïsm

Molecular dynamics and a multiscale polarizable QM/MM strategy allow reproducing absorption, circular dichroism, and resonance Raman spectra of a bacteriophytochrome.

scholarly journals Low-temperature resonance-Raman spectra of Japanese-lacquer-tree (Rhus vernicifera) laccase, type-2-copper-depleted laccase and H2O2-treated type-2-copper-depleted laccase

1983 ◽  
Vol 213 (2) ◽  
pp. 503-506 ◽  
Author(s):  
G Musci ◽  
A Desideri ◽  
L Morpurgo ◽  
A Garnier-Suillerot ◽  
L Tosi
Keyword(s):  
Raman Spectra ◽  
Strong Dependence ◽  
Resonance Raman ◽  
Local Symmetry ◽  
Structural Rearrangements ◽  
Blue Copper ◽  
Copper Site ◽  
Resonance Raman Spectra ◽  
Rhus Vernicifera

Resonance-Raman spectra of Japanese-lacquer-tree (Rhus vernicifera) laccase, type-2-copper-depleted laccase and the latter form treated with H2O2 were measured in liquid and frozen solution, on excitation into the 600 nm absorption band. Significant changes in intensity and/or frequency of the bands lying in the 370-430 cm-1 region were observed on freezing, indicating local structural rearrangements taking place at the blue copper site. These findings corroborate previous suggestions based on e.p.r. measurements and redox data [Morpurgo, Calabrese, Desideri & Rotilio (1981) Biochem. J. 193, 639-642]. They show the strong dependence of the physical properties of blue copper centres on local symmetry. Some conclusions on the origin of the Raman bands are also drawn.

Resonance Raman Spectra of β-Diketiminatocopper(II) Complexes

2010 ◽  
Vol 83 (10) ◽  
pp. 1162-1169
Author(s):  
Tomoko Miyazaki ◽  
Chizu Shimokawa ◽  
Toshio Matsushita ◽  
Shinobu Itoh ◽  
Junji Teraoka
Keyword(s):  
Raman Spectra ◽  
Resonance Raman ◽  
Resonance Raman Spectra
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