Excited States of One-Electron Oxidized Guanine-Cytosine Base Pair Radicals: A Time Dependent Density Functional Theory Study

Anil Kumar; Michael D. Sevilla

doi:10.1021/acs.jpca.9b00906

Excited States of One-Electron Oxidized Guanine-Cytosine Base Pair Radicals: A Time Dependent Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b00906 ◽

2019 ◽

Vol 123 (14) ◽

pp. 3098-3108 ◽

Cited By ~ 5

Author(s):

Anil Kumar ◽

Michael D. Sevilla

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Base Pair ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxidized Guanine ◽

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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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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Time-dependent density functional theory study on the hydrogen bonding-induced twisted intramolecular charge-transfer excited states of 2-(4′-N,N-dimethylaminophenyl)imidazo[4,5-b]pyridine

Journal of Computational Chemistry ◽

10.1002/jcc.21492 ◽

2010 ◽

pp. NA-NA ◽

Cited By ~ 1

Author(s):

Shu-Hui Yin ◽

Yufang Liu ◽

Wei Zhang ◽

Ming-Xing Guo ◽

Peng Song

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Charge Transfer ◽

Excited States ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Time-dependent density functional theory study on the hydrogen bonding in electronic excited states of 6-amino-3-((thiophen-2-yl) methylene)-phthalide in methanol solution

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.06.013 ◽

2011 ◽

Vol 972 (1-3) ◽

pp. 57-62 ◽

Cited By ~ 3

Author(s):

Hong Dong ◽

Ce Hao ◽

Jingwen Chen ◽

Jieshan Qiu

Keyword(s):

Density Functional Theory ◽

Hydrogen Bonding ◽

Excited States ◽

Density Functional ◽

Methanol Solution ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Excited States ◽

Dependent Density

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Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18–

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b12723 ◽

2018 ◽

Vol 122 (7) ◽

pp. 4097-4104 ◽

Cited By ~ 7

Author(s):

Masanori Ebina ◽

Takeshi Iwasa ◽

Yu Harabuchi ◽

Tetsuya Taketsugu

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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