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

Anil Kumar; Michael D. Sevilla

doi:10.1021/ja077331x

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

Journal of the American Chemical Society ◽

10.1021/ja077331x ◽

2008 ◽

Vol 130 (7) ◽

pp. 2130-2131 ◽

Cited By ~ 44

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

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Time-Dependent Density Functional Theory Study on Electronically Excited States of Coumarin 102 Chromophore in Aniline Solvent: Reconsideration of the Electronic Excited-State Hydrogen-Bonding Dynamics

The Journal of Physical Chemistry A ◽

10.1021/jp8022919 ◽

2008 ◽

Vol 112 (28) ◽

pp. 6244-6248 ◽

Cited By ~ 94

Author(s):

Yufang Liu ◽

Junxia Ding ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronically Excited States ◽

Electronically Excited ◽

Coumarin 102 ◽

Hydrogen Bonding Dynamics ◽

Dependent Density

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

Journal of the American Chemical Society ◽

10.1021/ja076293e ◽

2007 ◽

Vol 129 (46) ◽

pp. 14156-14157 ◽

Cited By ~ 197

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

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

The Journal of Chemical Physics ◽

10.1063/1.3190326 ◽

2009 ◽

Vol 131 (10) ◽

pp. 105105 ◽

Cited By ~ 14

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

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

Chemical Physics ◽

10.1016/j.chemphys.2008.10.011 ◽

2009 ◽

Vol 356 (1-3) ◽

pp. 219-228 ◽

Cited By ~ 22

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

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Time-Dependent Density Functional Theory Study of Fe2(CO)9Low-Lying Electronic Excited States

The Journal of Physical Chemistry A ◽

10.1021/jp0646022 ◽

2006 ◽

Vol 110 (47) ◽

pp. 12900-12907 ◽

Cited By ~ 9

Author(s):

Luca Bertini ◽

Claudio Greco ◽

Luca De Gioia ◽

Piercarlo Fantucci

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density

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A time-dependent density functional theory study of the electronically excited states of formaldehyde, acetaldehyde and acetone

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01119-1 ◽

1998 ◽

Vol 297 (1-2) ◽

pp. 60-64 ◽

Cited By ~ 152

Author(s):

Kenneth B. Wiberg ◽

R.Eric Stratmann ◽

Michael J. Frisch

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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Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute–solvent phenol–(H2O)n (n=3–5) clusters

Journal of Luminescence ◽

10.1016/j.jlumin.2011.06.006 ◽

2011 ◽

Vol 131 (11) ◽

pp. 2279-2285 ◽

Cited By ~ 7

Author(s):

Se Wang ◽

Ce Hao ◽

Zhanxian Gao ◽

Jingwen Chen ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density ◽

Hydrogen Bonded

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

The Journal of Chemical Physics ◽

10.1063/1.2956836 ◽

2008 ◽

Vol 129 (8) ◽

pp. 085101 ◽

Cited By ~ 20

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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Multiple hydrogen bonding in excited states of aminopyrazine in methanol solution: Time-dependent density functional theory study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.033 ◽

2013 ◽

Vol 115 ◽

pp. 39-44 ◽

Cited By ~ 5

Author(s):

Shuo Chai ◽

Jie Yu ◽

Yong-Chang Han ◽

Shu-Lin Cong

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited States ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Multiple Hydrogen Bonding ◽

Dependent Density

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Time-dependent density functional theory study on the coexistent intermolecular hydrogen-bonding and dihydrogen-bonding of the phenol-H2O-diethylmethylsilane complex in electronic excited states

Physical Chemistry Chemical Physics ◽

10.1039/b927049c ◽

2010 ◽

Vol 12 (32) ◽

pp. 9445 ◽

Cited By ~ 17

Author(s):

Ning-Ning Wei ◽

Ce Hao ◽

Zhilong Xiu ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Intermolecular Hydrogen Bonding ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dihydrogen Bonding ◽

Dependent Density

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