Excited States Decay of the A−T DNA: A PCM/TD-DFT Study in Aqueous Solution of the (9-Methyl-adenine)2·(1-methyl-thymine)2Stacked Tetramer

2009 ◽  
Vol 131 (42) ◽  
pp. 15232-15245 ◽  
Author(s):  
F. Santoro ◽  
V. Barone ◽  
R. Improta
Keyword(s):  
Aqueous Solution ◽  
Excited States ◽  
Dft Study ◽  
Td Dft

Excited states of six oxazine 1 conformers in aqueous solution: TD-DFT/DFT study

2021 ◽  
pp. 117456
Author(s):  
Nicolay S. Yaroshenko ◽  
Lyudmila O. Kostjukova ◽  
Victor V. Kostjukov
Keyword(s):  
Aqueous Solution ◽  
Excited States ◽  
Dft Study ◽  
Td Dft ◽  
Oxazine 1

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 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

A spectroscopic study of indigo dye in aqueous solution: A combined experimental and TD-DFT study

2018 ◽  
Vol 204 ◽  
pp. 568-572 ◽  
Author(s):  
Naparat Jiwalak ◽  
Rathawat Daengngern ◽  
Thanyada Rungrotmongkol ◽  
Siriporn Jungsuttiwong ◽  
Supawadee Namuangruk ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Spectroscopic Study ◽  
Dft Study ◽  
Td Dft ◽  
Indigo Dye

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
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