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1.
Simulation of absorption and scattering spectra of crystalline organic nanoparticles with the discrete dipole approximation: Effects of crystal shape, crystal size, and refractive index of the medium.
J Chem Phys
; 155(16): 164703, 2021 Oct 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-34717351
2.
Predicting Keto-Enol Equilibrium from Combining UV/Visible Absorption Spectroscopy with Quantum Chemical Calculations of Vibronic Structures for Many Excited States. A Case Study on Salicylideneanilines.
J Phys Chem A
; 122(24): 5370-5374, 2018 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-29767977
3.
Pigment violet 19 - a test case to define a simple method to simulate the vibronic structure of absorption spectra of organic pigments and dyes in solution.
Photochem Photobiol Sci
; 14(2): 444-56, 2015 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-25501947
4.
TDDFT Investigation of the Raman and Resonant Raman Spectra of Fluorescent Protein Chromophore Models.
J Phys Chem B
; 126(18): 3414-3424, 2022 05 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-35499480
5.
Multimode simulation of dimer absorption spectra from first principles calculations: application to the 3,4,9,10-perylenetetracarboxylic diimide dimer.
J Chem Phys
; 131(15): 154302, 2009 Oct 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-20568859
6.
Prediction of Vibronic Coupling and Absorption Spectra of Dimers from Time-Dependent Density Functional Theory: The Case of a Stacked Streptocyanine.
J Chem Theory Comput
; 4(12): 2094-100, 2008 Dec 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-26620480
7.
Investigation of the UV/visible absorption spectra of merocyanine dyes using time-dependent density functional theory.
J Phys Chem A
; 110(48): 13007-13, 2006 Dec 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-17134160
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