vibronic effects
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scholarly journals Quantum vibronic effects on the electronic properties of solid and molecular carbon

2021 ◽  
Vol 5 (7) ◽  
Author(s):  
Arpan Kundu ◽  
Marco Govoni ◽  
Han Yang ◽  
Michele Ceriotti ◽  
Francois Gygi ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Vibronic Effects

scholarly journals Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy

2021 ◽  
Vol 154 (8) ◽  
pp. 084116
Author(s):  
Sapana V. Shedge ◽  
Tim J. Zuehlsdorff ◽  
Ajay Khanna ◽  
Stacey Conley ◽  
Christine M. Isborn
Keyword(s):  
Optical Spectroscopy ◽  
Nonlinear Optical ◽  
Nonlinear Optical Spectroscopy ◽  
Linear And Nonlinear ◽  
Vibronic Effects

scholarly journals Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects

2021 ◽  
Author(s):  
Rengel Cane E. Sia ◽  
Ruben Arturo Arellano-Reyes ◽  
Tia E. Keyes ◽  
Julien Guthmuller
Keyword(s):  
Solvent Effects ◽  
Radiative Lifetime ◽  
Vibronic Effects

Vibronic and solvent effects significantly impact the radiative lifetime of a BODIPY dye.

A computational study of the vibronic effects on the electronic spectra and the photophysics of aza[7]helicene

2021 ◽  
Author(s):  
Yanli Liu ◽  
Daniel Aranda ◽  
Fabrizio Santoro
Keyword(s):  
Ground State ◽  
Electronic Spectra ◽  
Computational Study ◽  
High Fluorescence ◽  
Vibronic Effects ◽  
Photoinduced Processes

We report a computational study on vibronic effects in the spectroscopy, photoinduced processes and decay back to the ground state of aza[7]helicene, a helicene with an unusually high fluorescence quantum...

Doubly resonant sum frequency spectroscopy of mixed photochromic isomers on surfaces reveals conformation-specific vibronic effects

2019 ◽  
Vol 150 (11) ◽  
pp. 114704 ◽  
Author(s):  
Micah Raab ◽  
Jeffrey C. Becca ◽  
Jeongyun Heo ◽  
Chang-Keun Lim ◽  
Alexander Baev ◽  
...  
Keyword(s):  
Sum Frequency ◽  
Sum Frequency Spectroscopy ◽  
Vibronic Effects

The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: interplay between conformational equilibria and vibronic effects

2017 ◽  
Vol 19 (48) ◽  
pp. 32349-32360 ◽  
Author(s):  
Daniele Padula ◽  
Javier Cerezo ◽  
Gennaro Pescitelli ◽  
Fabrizio Santoro
Keyword(s):  
Circular Dichroism ◽  
Solvent Effects ◽  
Circular Dichroism Spectrum ◽  
Electronic Circular Dichroism ◽  
Conformational Equilibria ◽  
Circular Dichroïsm ◽  
Vibronic Effects

Analysis of the interplay between conformational equilibria, solvent effects and vibronic contributions in the ECD spectra.

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