The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: a PCM/TD-DFT study

2009 ◽  
Vol 11 (22) ◽  
pp. 4664 ◽  
Author(s):  
Roberto Improta ◽  
Camilla Ferrante ◽  
Renato Bozio ◽  
Vincenzo Barone
Keyword(s):  
Electronic States ◽  
Dft Study ◽  
Excited Electronic States ◽  
Porphyrin Derivatives ◽  
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

scholarly journals Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: a detailed DFT study

RSC Advances ◽  
2021 ◽  
Vol 11 (44) ◽  
pp. 27570-27582
Author(s):  
Sabir Ali Siddique ◽  
Muhammad Arshad ◽  
Sabiha Naveed ◽  
Muhammad Yasir Mehboob ◽  
Muhammad Adnan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Quantum Chemical ◽  
Dye Sensitized Solar Cells ◽  
Optoelectronic Properties ◽  
Dft Study ◽  
Zinc Phthalocyanine ◽  
Dye Sensitized ◽  
Td Dft ◽  
Quantum Chemical Approach ◽  
Sensitized Solar Cells

We used a quantum chemical approach to investigate the optoelectronic properties of dyes T1–T5 for dye-sensitized solar cells using DFT and TD-DFT computation. The newly designed molecules exhibited outstanding photovoltaic and optoelectronic properties.

Reactions of ions in excited electronic states: (CO+⋅) *+CO→C2O+⋅+CO

1975 ◽  
Vol 63 (8) ◽  
pp. 3656-3660 ◽  
Author(s):  
Michael T. Bowers ◽  
Marian Chau ◽  
Paul R. Kemper
Keyword(s):  
Electronic States ◽  
Excited Electronic States
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