Calculation of the Resonance Raman Intensities of Nickel bis-Dimethylglyoxime by means of Density Functional Theory and the Transform Theory

Density Functional ◽

Resonance Raman ◽

Functional Theory ◽

Raman Intensities

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 ◽

Resonance Raman ◽

Time Dependent ◽

Functional Theory ◽

Raman Intensities ◽

Dependent Density

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):

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Raman Intensities ◽

A density functional theory-derived force field for 3-ethylindole. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199805)29:5<343::aid-jrs237>3.0.co;2-6 ◽

1998 ◽

Vol 29 (5) ◽

pp. 343-351 ◽

Cited By ~ 9

Author(s):

H. Gallouj ◽

P. Lagant ◽

G. Vergoten

Keyword(s):

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Raman Intensities ◽

Use of the Resonance Raman Intensities To Check the Density Functional Theory Derived Force Field of the Free Base Porphine

The Journal of Physical Chemistry A ◽

10.1021/jp992490r ◽

2000 ◽

Vol 104 (3) ◽

pp. 618-625 ◽

Cited By ~ 12

Author(s):

Mouhsine Tazi ◽

Philippe Lagant ◽

Gérard Vergoten

Keyword(s):

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Free Base ◽

Functional Theory ◽

The Density Functional Theory ◽

Raman Intensities

A density functional theory derived force field for p-cresol. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)90651-7 ◽

1995 ◽

Vol 372 (1) ◽

pp. 53-68 ◽

Cited By ~ 1

Author(s):

P Lagant ◽

H Gallouj ◽

G Vergoten

Keyword(s):

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Raman Intensities ◽

A density functional theory derived force field for p-cresol. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

Journal of Molecular Structure ◽

10.1016/0022-2860(95)08965-9 ◽

1995 ◽

Vol 372 (1) ◽

pp. 53-68 ◽

Cited By ~ 2

Author(s):

P. Lagant ◽

H. Gallouj ◽

G. Vergoten

Keyword(s):

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Raman Intensities ◽

Excited state structural dynamics and Herzberg–Teller coupling of tetraphenylporphine explored via resonance Raman spectroscopy and density functional theory calculation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.10.054 ◽

2010 ◽

Vol 75 (5) ◽

pp. 1381-1387 ◽

Cited By ~ 6

Author(s):

Jun Xu ◽

Junmin Wan ◽

Yanying Zhao ◽

Miaoqiang Lv ◽

Xuming Zheng ◽

...

Keyword(s):

Raman Spectroscopy ◽

Excited State ◽

Structural Dynamics ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

Functional Theory ◽

Theory Calculation

Understanding excited-state structure in metal polypyridyl complexes using resonance Raman excitation profiles, time-resolved resonance Raman spectroscopy and density functional theory

Coordination Chemistry Reviews ◽

10.1016/j.ccr.2009.11.015 ◽

2010 ◽

Vol 254 (21-22) ◽

pp. 2505-2518 ◽

Cited By ~ 53

Author(s):

Raphael Horvath ◽

Keith C. Gordon

Keyword(s):

Raman Spectroscopy ◽

Excited State ◽

Density Functional ◽

Resonance Raman Spectroscopy ◽

Resonance Raman ◽

State Structure ◽

Functional Theory ◽

Polypyridyl Complexes ◽

Time Resolved

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):

Raman Scattering ◽

Density Functional ◽

Resonance Raman ◽

Resonance Raman Scattering ◽

Functional Theory ◽

Surface Enhanced ◽

Raman Study

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):

Real Time ◽

Optical Activity ◽

Density Functional ◽

Resonance Raman ◽

Time Dependent ◽

Vibrational Resonance ◽

Functional Theory ◽

Raman Optical Activity ◽

Dependent Density