The vibronic absorption spectrum and electronic properties of Azure B in aqueous solution: TD-DFT/DFT study

2021 ◽  
pp. 107964
Author(s):  
Lyudmila O. Kostjukova ◽  
Svetlana V. Leontieva ◽  
Victor V. Kostjukov
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectrum ◽  
Electronic Properties ◽  
Dft Study ◽  
Azure B ◽  
Td Dft

TD-DFT/DFT study of thionine in aqueous solution: vibronic absorption spectrum and electronic properties

Optik ◽  
2021 ◽  
pp. 167156
Author(s):  
Lyudmila O. Kostjukova ◽  
Svetlana V. Leontieva ◽  
Victor V. Kostjukov
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectrum ◽  
Electronic Properties ◽  
Dft Study ◽  
Td Dft

Vibronic absorption spectrum and electronic properties of azure C in aqueous solution: TD-DFT study

2021 ◽  
Vol 140 (8) ◽  
Author(s):  
Lyudmila O. Kostjukova ◽  
Svetlana V. Leontieva ◽  
Victor V. Kostjukov
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectrum ◽  
Electronic Properties ◽  
Dft Study ◽  
Td Dft

The excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study

2010 ◽  
Vol 12 (19) ◽  
pp. 4934 ◽  
Author(s):  
Fabrizio Santoro ◽  
Vincenzo Barone ◽  
Alessandro Lami ◽  
Roberto Improta
Keyword(s):  
Aqueous Solution ◽  
Electronic States ◽  
Dft Study ◽  
Excited Electronic States ◽  
Td Dft

A DFT study of a new class of gold nanocluster-photochrome multi-functional switches

2014 ◽  
Vol 16 (47) ◽  
pp. 26240-26251 ◽  
Author(s):  
Arnaud Fihey ◽  
François Maurel ◽  
Aurélie Perrier
Keyword(s):  
Dft Calculations ◽  
Electronic Properties ◽  
Electron Energy ◽  
Dft Study ◽  
Gold Nanocluster ◽  
New Class ◽  
Energy Transfers ◽  
Td Dft ◽  
Structural And Electronic Properties ◽  
Photochromic Molecules

The structural and electronic properties of dithienylethene photochromic molecules grafted onto a Au25 nanocluster are reviewed and electron/energy transfers are discussed with the help of (TD-)DFT calculations.

A combined femtosecond fluorescence and TD-DFT study of uracil derivatives in aqueous solution

2006 ◽  
pp. 254-257
Author(s):  
Thomas Gustavsson ◽  
Elodie Lazzarotto ◽  
Dimitra Markovitsi ◽  
Ákos Bányász ◽  
Roberto Improta ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Dft Study ◽  
Uracil Derivatives ◽  
Td Dft
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