Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations

2011 ◽  
Vol 13 (37) ◽  
pp. 16689 ◽  
Author(s):  
Alfonso Pedone ◽  
Giacomo Prampolini ◽  
Susanna Monti ◽  
Vincenzo Barone
Keyword(s):  
Silica Nanoparticles ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Fluorescent Silica Nanoparticles ◽  
Td Dft

Experimental and PCM/TD-DFT investigation on the absorption and emission spectra of a light emitting material in various solvents

2011 ◽  
Vol 503 (1-3) ◽  
pp. 75-79 ◽  
Author(s):  
Xiaojun Liu ◽  
Dan Yang ◽  
Haidong Ju ◽  
Feng Teng ◽  
Yanbing Hou ◽  
...  
Keyword(s):  
Emission Spectra ◽  
Light Emitting ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Td Dft

Absorption and emission spectra of 1,8-naphthalimide fluorophores: A PCM-TD-DFT investigation

2010 ◽  
Vol 372 (1-3) ◽  
pp. 61-66 ◽  
Author(s):  
Denis Jacquemin ◽  
Eric A. Perpète ◽  
Giovanni Scalmani ◽  
Ilaria Ciofini ◽  
Cyril Peltier ◽  
...  
Keyword(s):  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Td Dft

TD-DFT Study of Absorption and Emission Spectra of 2-(2′-Aminophenyl)benzothiazole Derivatives in Water

2017 ◽  
Vol 27 (2) ◽  
pp. 745-754 ◽  
Author(s):  
Natthaporn Manojai ◽  
Rathawat Daengngern ◽  
Khanittha Kerdpol ◽  
Nawee Kungwan ◽  
Chanisorn Ngaojampa
Keyword(s):  
Emission Spectra ◽  
Dft Study ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Benzothiazole Derivatives ◽  
Td Dft

TD-DFT/IEFPCM determination of the absorption and emission spectra of DABCYL

2010 ◽  
Vol 945 (1-3) ◽  
pp. 101-103 ◽  
Author(s):  
Mónica Alvarado-González ◽  
Norma Flores-Holguín ◽  
Marco Gallo ◽  
Erasmo Orrantia-Borunda ◽  
Daniel Glossman-Mitnik
Keyword(s):  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Td Dft

Absorption and emission spectra in gas-phase and solution using TD-DFT: Formaldehyde and benzene as case studies

2006 ◽  
Vol 421 (1-3) ◽  
pp. 272-276 ◽  
Author(s):  
Denis Jacquemin ◽  
Eric A. Perpète ◽  
Giovanni Scalmani ◽  
Michael J. Frisch ◽  
Ilaria Ciofini ◽  
...  
Keyword(s):  
Gas Phase ◽  
Case Studies ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Td Dft

scholarly journals Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family

2019 ◽  
Vol 21 (18) ◽  
pp. 9246-9254 ◽  
Author(s):  
G. V. Baryshnikov ◽  
R. R. Valiev ◽  
V. N. Cherepanov ◽  
N. N. Karaush-Karmazin ◽  
V. A. Minaeva ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Photophysical Behavior

The electronic structure, absorption and emission spectra, aromaticity and photophysical behavior of the recently synthesized tetrasilatetrathia[8]circulene and tetragermatetrathia[8]circulene compounds have been studied computationally.

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