Assessment of TD-DFT and CC2 Methods for the Calculation of Resonance Raman Intensities: Application to o-Nitrophenol

Julien Guthmuller

doi:10.1021/ct200010p

Assessment of TD-DFT and CC2 Methods for the Calculation of Resonance Raman Intensities: Application to o-Nitrophenol

Journal of Chemical Theory and Computation ◽

10.1021/ct200010p ◽

2011 ◽

Vol 7 (4) ◽

pp. 1082-1089 ◽

Cited By ~ 29

Author(s):

Julien Guthmuller

Keyword(s):

Resonance Raman ◽

Td Dft ◽

Resonance Raman Intensities ◽

Raman Intensities

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ChemInform Abstract: Excited-State Structure and Dynamics of Isoprene from Absolute Resonance Raman Intensities.

ChemInform ◽

10.1002/chin.199046043 ◽

1990 ◽

Vol 21 (46) ◽

Author(s):

M. O. TRULSON ◽

R. A. MATHIES

Keyword(s):

Excited State ◽

Resonance Raman ◽

State Structure ◽

Structure And Dynamics ◽

Resonance Raman Intensities ◽

Raman Intensities

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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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Excited‐state structure and electronic dephasing time of Nile blue from absolute resonance Raman intensities

The Journal of Chemical Physics ◽

10.1063/1.462355 ◽

1992 ◽

Vol 96 (11) ◽

pp. 8037-8045 ◽

Cited By ~ 61

Author(s):

Mary K. Lawless ◽

Richard A. Mathies

Keyword(s):

Excited State ◽

Nile Blue ◽

Resonance Raman ◽

State Structure ◽

Dephasing Time ◽

Electronic Dephasing ◽

Resonance Raman Intensities ◽

Raman Intensities

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Anharmonicity of excited-state potential surfaces: quantum chemical analysis and resonance Raman intensities

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199806)29:6<439::aid-jrs264>3.0.co;2-p ◽

1998 ◽

Vol 29 (6) ◽

pp. 439-445 ◽

Cited By ~ 4

Author(s):

A. M. Brouwer ◽

C. Svendsen ◽

O. S. Mortensen ◽

R. Wilbrandt

Keyword(s):

Excited State ◽

Chemical Analysis ◽

Quantum Chemical ◽

Resonance Raman ◽

Quantum Chemical Analysis ◽

Potential Surfaces ◽

State Potential ◽

Resonance Raman Intensities ◽

Raman Intensities

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Porphyrin Distortion from Resonance Raman Intensities of Out-of-Plane Modes: Computation and Modeling ofN-Methylmesoporphyrin, a Ferrochelatase Transition State Analog

The Journal of Physical Chemistry A ◽

10.1021/jp0470142 ◽

2005 ◽

Vol 109 (3) ◽

pp. 421-430 ◽

Cited By ~ 22

Author(s):

Andrzej A. Jarzȩcki ◽

Thomas G. Spiro

Keyword(s):

Transition State ◽

Resonance Raman ◽

Transition State Analog ◽

Out Of Plane ◽

Resonance Raman Intensities ◽

Raman Intensities

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Determination of force fields for nucleic acid bases. use of the ultraviolet resonance Raman intensities to check the vibrational assignments

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199911)30:11<1001::aid-jrs430>3.0.co;2-4 ◽

1999 ◽

Vol 30 (11) ◽

pp. 1001-1007 ◽

Cited By ~ 11

Author(s):

P. Lagant ◽

G. Vergoten ◽

W. L. Peticolas

Keyword(s):

Nucleic Acid ◽

Force Fields ◽

Resonance Raman ◽

Nucleic Acid Bases ◽

Vibrational Assignments ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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ChemInform Abstract: Femtosecond Photochemical Ring Opening Dynamics of 1,3-Cyclohexadiene from Resonance Raman Intensities

ChemInform ◽

10.1002/chin.198722033 ◽

1987 ◽

Vol 18 (22) ◽

Author(s):

M. O. TRULSON ◽

G. D. DOLLINGER ◽

R. A. MATHIES

Keyword(s):

Ring Opening ◽

Resonance Raman ◽

Resonance Raman Intensities ◽

Raman Intensities

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A force field derived by density functional theory for 4-ethylimidazole: use of the ultraviolet resonance Raman intensities to check the vibrational analysis

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199711)28:11<909::aid-jrs187>3.0.co;2-x ◽

1997 ◽

Vol 28 (11) ◽

pp. 909-916 ◽

Cited By ~ 5

Author(s):

H. Gallouj ◽

P. Lagant ◽

G. Vergoten

Keyword(s):

Density Functional Theory ◽

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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Theoretical prediction of the electronic excited states and resonance Raman intensities in formamide from coupled cluster calculations

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00393-x ◽

1997 ◽

Vol 270 (5-6) ◽

pp. 406-412 ◽

Cited By ~ 17

Author(s):

Péter G. Szalay ◽

Géza Fogarasi

Keyword(s):

Theoretical Prediction ◽

Excited States ◽

Resonance Raman ◽

Coupled Cluster ◽

Electronic Excited States ◽

Cluster Calculations ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Coupled Cluster Calculations

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Dependence of Raman and Resonance Raman Intensities on Sample Self-Absorption

Applied Spectroscopy ◽

10.1366/14-07531 ◽

2015 ◽

Vol 69 (1) ◽

pp. 75-83 ◽

Cited By ~ 9

Author(s):

Zhenmin Hong ◽

Sanford A. Asher

Keyword(s):

Resonance Raman ◽

Resonance Raman Intensities ◽

Raman Intensities

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