Resonance Raman Spectra and Electronic Transitions in Carotenoids: A Density Functional Theory Study

2014 ◽  
Vol 118 (10) ◽  
pp. 1817-1825 ◽  
Author(s):  
Mindaugas Macernis ◽  
Juozas Sulskus ◽  
Svetlana Malickaja ◽  
Bruno Robert ◽  
Leonas Valkunas
Keyword(s):  
Density Functional Theory ◽  
Raman Spectra ◽  
Density Functional ◽  
Resonance Raman ◽  
Electronic Transitions ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Resonance Raman Spectra

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

2010 ◽  
Vol 114 (1) ◽  
pp. 511-520 ◽  
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

Resonance Raman Spectra of o-Safranin Dye, Free and Adsorbed on Silver Nanoparticles: Experiment and Density Functional Theory Calculation

2016 ◽  
Vol 120 (27) ◽  
pp. 5307-5314 ◽  
Author(s):  
Marilena Ricci ◽  
Elena Platania ◽  
Cristiana Lofrumento ◽  
Emilio M. Castellucci ◽  
Maurizio Becucci
Keyword(s):  
Density Functional Theory ◽  
Silver Nanoparticles ◽  
Raman Spectra ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Resonance Raman ◽  
Functional Theory ◽  
Resonance Raman Spectra ◽  
Theory Calculation

Resonance Raman spectra of ortho-nitrophenol calculated by real-time time-dependent density functional theory

2013 ◽  
Vol 138 (4) ◽  
pp. 044101 ◽  
Author(s):  
Martin Thomas ◽  
Federico Latorre ◽  
Philipp Marquetand
Keyword(s):  
Density Functional Theory ◽  
Real Time ◽  
Raman Spectra ◽  
Density Functional ◽  
Resonance Raman ◽  
Time Dependent ◽  
Functional Theory ◽  
Resonance Raman Spectra ◽  
Dependent Density

Density Functional Theory Study on Raman Spectra of Rhodamine Molecules in Different Forms

2014 ◽  
Vol 27 (3) ◽  
pp. 291-296 ◽  
Author(s):  
Yong Ma ◽  
Wei Hu ◽  
Xiu-neng Song ◽  
Chuan-kui Wang
Keyword(s):  
Density Functional Theory ◽  
Raman Spectra ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

A Density Functional Theory Study on the Metal Binding Properties and Electronic Transitions of Dithienopyrole Derivatives

2014 ◽  
Vol 155 (1) ◽  
pp. 119-125 ◽  
Author(s):  
P. Thanakit ◽  
P. Chittratan ◽  
S. Pratontep ◽  
D. Sae-Tang Phromyothin
Keyword(s):  
Density Functional Theory ◽  
Metal Binding ◽  
Density Functional ◽  
Electronic Transitions ◽  
Density Functional Theory Study ◽  
Binding Properties ◽  
Functional Theory
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