Influence of Hydration on Proton Transfer in the Guanine−Cytosine Radical Cation (G•+−C) Base Pair: A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp903403d ◽

2009 ◽

Vol 113 (33) ◽

pp. 11359-11361 ◽

Author(s):

Anil Kumar ◽

Michael D. Sevilla

Keyword(s):

Density Functional Theory ◽

Proton Transfer ◽

Radical Cation ◽

Base Pair ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Influence Of Hydration

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Barrierless Proton Transfer within Short Protonated Peptides in the Presence of Water Bridges. A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp107219r ◽

2011 ◽

Vol 115 (6) ◽

pp. 1485-1490 ◽

Author(s):

Po-Tuan Chen ◽

Chia-Ching Wang ◽

Jyh-Chiang Jiang ◽

Hsi-Kai Wang ◽

Michitoshi Hayashi

Keyword(s):

Density Functional Theory ◽

Proton Transfer ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Protonated Peptides ◽

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Hydroxyl Radical Reaction with the Guanine-Cytosine Base Pair: A Density Functional Theory Study

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201504171 ◽

2015 ◽

Vol 31 (6) ◽

pp. 1007-1014

Author(s):

LI Min-Jie ◽

◽

DIAO Ling ◽

KOU Li ◽

LI Zhong-Gao ◽

...

Keyword(s):

Density Functional Theory ◽

Hydroxyl Radical ◽

Base Pair ◽

Density Functional ◽

Radical Reaction ◽

Density Functional Theory Study ◽

Functional Theory

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Excited-State Proton Transfer through Water Bridges and Structure of Hydrogen-Bonded Complexes in 1H-Pyrrolo[3,2-h]quinoline: Adiabatic Time-Dependent Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp063426u ◽

2006 ◽

Vol 110 (43) ◽

pp. 11958-11967 ◽

Author(s):

A. Kyrychenko ◽

J. Waluk

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Excited State Proton Transfer ◽

Dependent Density ◽

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Hybrid density functional theory study of proton transfer between methane and methyl radical

Chemical Physics Letters ◽

10.1016/0009-2614(95)00930-3 ◽

1995 ◽

Vol 244 (3-4) ◽

pp. 263-268 ◽

Author(s):

Branko S. Jursic

Keyword(s):

Density Functional Theory ◽

Proton Transfer ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Methyl Radical ◽

Functional Theory ◽

Hybrid Density Functional

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Time-dependent density functional theory study on the excited-state intramolecular proton transfer in salicylaldehyde

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.03.078 ◽

2014 ◽

Vol 129 ◽

pp. 280-284 ◽

Author(s):

Hang Yin ◽

Ying Shi ◽

Ye Wang

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Intramolecular Proton Transfer ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Density Functional Theory Study of the β-Carotene Radical Cation and Deprotonated Radicals

The Journal of Physical Chemistry B ◽

10.1021/jp0643707 ◽

2006 ◽

Vol 110 (48) ◽

pp. 24750-24756 ◽

Author(s):

Yunlong Gao ◽

A. Ligia Focsan ◽

Lowell D. Kispert ◽

David A. Dixon

Keyword(s):

Density Functional Theory ◽

Radical Cation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density Functional Theory Study of the β-Carotene Radical Cation

The Journal of Physical Chemistry A ◽

10.1021/jp011473a ◽

2001 ◽

Vol 105 (33) ◽

pp. 7933-7937 ◽

Author(s):

Fahmi Himo

Keyword(s):

Density Functional Theory ◽

Radical Cation ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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A density functional theory study of double proton transfer reactions in formamide, formamide-formic acid and formic acid dimers

Chinese Journal of Physics ◽

10.1016/j.cjph.2017.01.001 ◽

2017 ◽

Vol 55 (3) ◽

pp. 719-728 ◽

Author(s):

Yi-Siang Wang ◽

Kai-Lun Shen ◽

Sheng D. Chao

Keyword(s):

Density Functional Theory ◽

Proton Transfer ◽

Formic Acid ◽

Density Functional ◽

Transfer Reactions ◽

Density Functional Theory Study ◽

Functional Theory ◽

Double Proton Transfer ◽

Proton Transfer Reactions

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A Density Functional Theory Study for the Hydrogen-Bonded Nucleic Acid Base Pair: Cytosine Dimer

The Journal of Physical Chemistry A ◽

10.1021/jp0459965 ◽

2005 ◽

Vol 109 (12) ◽

pp. 2887-2893 ◽

Author(s):

Prabhat K. Sahu ◽

Rama K. Mishra ◽

Shyi-Long Lee

Keyword(s):

Density Functional Theory ◽

Nucleic Acid ◽

Base Pair ◽

Density Functional ◽

Density Functional Theory Study ◽

Acid Base ◽

Functional Theory ◽

Nucleic Acid Base ◽

Hydrogen Bonded

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A density functional theory study of dimers of hydrophosphoryl compounds and proton transfer in them

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024408010147 ◽

2008 ◽

Vol 82 (1) ◽

pp. 94-100 ◽

Author(s):

Yu. V. Babin ◽

A. V. Prisyazhnyuk ◽

Yu. A. Ustynyuk

Keyword(s):

Density Functional Theory ◽

Proton Transfer ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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