Vibrationally Resolved Absorption and Emission Spectra of Dithiophene in the Gas Phase and in Solution by First-Principle Quantum Mechanical Calculations

2012 ◽  
Vol 8 (11) ◽  
pp. 4483-4493 ◽  
Author(s):  
E. Stendardo ◽  
F. Avila Ferrer ◽  
F. Santoro ◽  
R. Improta
Keyword(s):  
Gas Phase ◽  
Emission Spectra ◽  
Quantum Mechanical ◽  
First Principle ◽  
Quantum Mechanical Calculations ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra

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.

Fine structure of the absorption and emission spectra of NI2+-ions in BALiF3

1995 ◽  
Vol 135 (1-4) ◽  
pp. 15-18 ◽  
Author(s):  
E. Martins ◽  
S. L. Baldochi ◽  
S. P. Morato ◽  
N. D. Vieira ◽  
A. Luci ◽  
...  
Keyword(s):  
Fine Structure ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra

QM/MM-Based Calculations of Absorption and Emission Spectra of LSSmOrange Variants

2016 ◽  
Vol 120 (49) ◽  
pp. 12454-12465 ◽  
Author(s):  
Maike Bergeler ◽  
Hideaki Mizuno ◽  
Eduard Fron ◽  
Jeremy N. Harvey
Keyword(s):  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra
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