Resonance Raman Scattering of Rhodamine 6G as Calculated by Time-Dependent Density Functional Theory:  Vibronic and Solvent Effects

Julien Guthmuller; Benoît Champagne

doi:10.1021/jp7112279

Resonance Raman Scattering of Rhodamine 6G as Calculated by Time-Dependent Density Functional Theory: Vibronic and Solvent Effects

The Journal of Physical Chemistry A ◽

10.1021/jp7112279 ◽

2008 ◽

Vol 112 (14) ◽

pp. 3215-3223 ◽

Cited By ~ 60

Author(s):

Julien Guthmuller ◽

Benoît Champagne

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Solvent Effects ◽

Density Functional ◽

Rhodamine 6G ◽

Resonance Raman ◽

Time Dependent ◽

Resonance Raman Scattering ◽

Functional Theory ◽

Dependent Density

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Resonance Raman Scattering of Rhodamine 6G as Calculated Using Time-Dependent Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/jp0610867 ◽

2006 ◽

Vol 110 (18) ◽

pp. 5973-5977 ◽

Cited By ~ 245

Author(s):

Lasse Jensen ◽

George C. Schatz

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Density Functional ◽

Rhodamine 6G ◽

Resonance Raman ◽

Time Dependent ◽

Resonance Raman Scattering ◽

Functional Theory ◽

Dependent Density

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Resonance Raman Spectra and Raman Excitation Profiles of Rhodamine 6G from Time-Dependent Density Functional Theory

ChemPhysChem ◽

10.1002/cphc.200800253 ◽

2008 ◽

Vol 9 (12) ◽

pp. 1667-1669 ◽

Cited By ~ 28

Author(s):

Julien Guthmuller ◽

Benoît Champagne

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Rhodamine 6G ◽

Resonance Raman ◽

Time Dependent ◽

Functional Theory ◽

Resonance Raman Spectra ◽

Raman Excitation Profiles ◽

Dependent Density

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Simulation of the resonance Raman intensities of a ruthenium–palladium photocatalyst by time dependent density functional theory

Physical Chemistry Chemical Physics ◽

10.1039/c0cp00942c ◽

2010 ◽

Vol 12 (44) ◽

pp. 14812 ◽

Cited By ~ 42

Author(s):

Julien Guthmuller ◽

Leticia González

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Functional Theory ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Dependent Density

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Modeling Coherent Anti-Stokes Raman Scattering with Time-Dependent Density Functional Theory: Vacuum and Surface Enhancement.

The Journal of Physical Chemistry Letters ◽

10.1021/jz2005573 ◽

2011 ◽

Vol 2 (15) ◽

pp. 1849-1854 ◽

Cited By ~ 14

Author(s):

John A. Parkhill ◽

Dmitrij Rappoport ◽

Alán Aspuru-Guzik

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Surface Enhancement ◽

Anti Stokes ◽

Dependent Density

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A density functional theory and resonance Raman study of a benzotriazole dye used in surface enhanced resonance Raman scattering

Journal of Molecular Structure ◽

10.1016/j.molstruc.2005.12.021 ◽

2006 ◽

Vol 789 (1-3) ◽

pp. 59-70 ◽

Cited By ~ 6

Author(s):

Prokopis C. Andrikopoulos ◽

Karen M. McCarney ◽

David R. Armstrong ◽

Rachael E. Littleford ◽

Duncan Graham ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Density Functional ◽

Resonance Raman ◽

Resonance Raman Scattering ◽

Functional Theory ◽

Surface Enhanced ◽

Raman Study

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Vibrational (resonance) Raman optical activity with real time time dependent density functional theory

The Journal of Chemical Physics ◽

10.1063/1.5132294 ◽

2019 ◽

Vol 151 (23) ◽

pp. 234110 ◽

Cited By ~ 2

Author(s):

Johann Mattiat ◽

Sandra Luber

Keyword(s):

Density Functional Theory ◽

Real Time ◽

Optical Activity ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Vibrational Resonance ◽

Functional Theory ◽

Raman Optical Activity ◽

Dependent Density

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Electronic structure and molecular properties of [Re6−x Os x Se8Cl6](4−x)− (x = 0–3) clusters: A study based on time-dependent density functional theory including spin-orbit and solvent effects

Journal of Structural Chemistry ◽

10.1134/s0022476614020267 ◽

2014 ◽

Vol 55 (2) ◽

pp. 363-367 ◽

Cited By ~ 1

Author(s):

L. Alvarado-Soto ◽

Ramirez-Tagle

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Solvent Effects ◽

Density Functional ◽

Molecular Properties ◽

Time Dependent ◽

Spin Orbit ◽

Functional Theory ◽

Dependent Density

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The study of resonance Raman scattering spectrum on the surface of Cu nanoparticles with ultraviolet excitation and density functional theory

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.08.030 ◽

2007 ◽

Vol 67 (3-4) ◽

pp. 767-771 ◽

Cited By ~ 9

Author(s):

Li-Ping Ding ◽

Yan Fang

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Density Functional ◽

Resonance Raman ◽

Raman Scattering Spectrum ◽

Cu Nanoparticles ◽

Resonance Raman Scattering ◽

Functional Theory ◽

Ultraviolet Excitation ◽

Scattering Spectrum

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Time-dependent density functional theory applied to Raman scattering from methane

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00981-0 ◽

1997 ◽

Vol 279 (1-2) ◽

pp. 17-21 ◽

Cited By ~ 8

Author(s):

Andrew G. Ioannou ◽

Roger D. Amos

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Investigation of the Resonance Raman Spectra and Excitation Profiles of a Monometallic Ruthenium(II) [Ru(bpy)2(HAT)]2+Complex by Time-Dependent Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp908154q ◽

2010 ◽

Vol 114 (1) ◽

pp. 511-520 ◽

Cited By ~ 26

Author(s):

Julien Guthmuller ◽

Benoît Champagne ◽

Cécile Moucheron ◽

Andrée Kirsch - De Mesmaeker

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Functional Theory ◽

Resonance Raman Spectra ◽

Dependent Density

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