The Role of πσ* Excited States in Electron-Induced DNA Strand Break Formation:  A Time-Dependent Density Functional Theory Study

2008 ◽  
Vol 130 (7) ◽  
pp. 2130-2131 ◽  
Author(s):  
Anil Kumar ◽  
Michael D. Sevilla
Keyword(s):  
Excited States ◽  
Density Functional ◽  
Strand Break ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dna Strand Break ◽  
Dna Strand ◽  
Break Formation

Time-Dependent Density Functional Theory Investigations on the Excited States of Ru(II)-Dye-Sensitized TiO2Nanoparticles:  The Role of Sensitizer Protonation

2007 ◽  
Vol 129 (46) ◽  
pp. 14156-14157 ◽  
Author(s):  
Filippo De Angelis ◽  
Simona Fantacci ◽  
Annabella Selloni ◽  
Mohammad K. Nazeeruddin ◽  
Michael Grätzel
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Dye Sensitized ◽  
Dependent Density

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of coenzyme B[sub 12]

2009 ◽  
Vol 131 (10) ◽  
pp. 105105 ◽  
Author(s):  
Tadeusz Andruniów ◽  
Maria Jaworska ◽  
Piotr Lodowski ◽  
Marek Z. Zgierski ◽  
Renata Dreos ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Electronically Excited States ◽  
Electronically Excited ◽  
Coenzyme B ◽  
Dependent Density

Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

2009 ◽  
Vol 356 (1-3) ◽  
pp. 219-228 ◽  
Author(s):  
Wenhua Xu ◽  
Jianyi Ma ◽  
Daoling Peng ◽  
Wenli Zou ◽  
Wenjian Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin

2008 ◽  
Vol 129 (8) ◽  
pp. 085101 ◽  
Author(s):  
Tadeusz Andruniów ◽  
Maria Jaworska ◽  
Piotr Lodowski ◽  
Marek Z. Zgierski ◽  
Renata Dreos ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Electronically Excited States ◽  
Electronically Excited ◽  
Dependent Density
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