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

Po-Tuan Chen; Chia-Ching Wang; Jyh-Chiang Jiang; Hsi-Kai Wang; Michitoshi Hayashi

doi:10.1021/jp107219r

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 ◽

Cited By ~ 19

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 ◽

Water Bridges

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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 ◽

Cited By ~ 57

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 ◽

Water Bridges

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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 ◽

Cited By ~ 51

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 ◽

Cited By ~ 32

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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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 ◽

Cited By ~ 1

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 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 ◽

Cited By ~ 9

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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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 ◽

Cited By ~ 73

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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Intersystem Crossing Pathway in Quinoline–Pyrazole Isomerism: A Time-Dependent Density Functional Theory Study on Excited-State Intramolecular Proton Transfer

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b03557 ◽

2015 ◽

Vol 119 (24) ◽

pp. 6269-6274 ◽

Cited By ~ 70

Author(s):

Yu-Hui Liu ◽

Sheng-Cheng Lan ◽

Chaoyuan Zhu ◽

Sheng-Hsien Lin

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Proton Transfer ◽

Density Functional ◽

Intramolecular Proton Transfer ◽

Time Dependent ◽

Intersystem Crossing ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Effect of fluorine substitution on the proton transfer barrier in malonaldehyde. A density functional theory study

Chemical Physics Letters ◽

10.1016/s0009-2614(03)01117-5 ◽

2003 ◽

Vol 376 (5-6) ◽

pp. 781-787 ◽

Cited By ~ 6

Author(s):

Fabio Pichierri

Keyword(s):

Density Functional Theory ◽

Proton Transfer ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Fluorine Substitution

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Ab Initio and Density Functional Theory Study of Keto–Enol Equilibria of Deltic Acid in Gas and Aqueous Solution Phase: A Bimolecular Proton Transfer Mechanism

The Journal of Organic Chemistry ◽

10.1021/jo301575c ◽

2012 ◽

Vol 77 (19) ◽

pp. 8621-8626 ◽

Cited By ~ 7

Author(s):

Jovan M. Tadić ◽

Lai Xu

Keyword(s):

Aqueous Solution ◽

Density Functional Theory ◽

Proton Transfer ◽

Ab Initio ◽

Density Functional ◽

Transfer Mechanism ◽

Solution Phase ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study on the intramolecular proton transfer in 6-thioguanine and alkali metal cations substituted derivatives (M-TG, M=Li+, Na+, K+)

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.09.028 ◽

2012 ◽

Vol 1002 ◽

pp. 37-42 ◽

Cited By ~ 1

Author(s):

Jiao-Qiang Zhang ◽

Chang-Ming Shi ◽

Wen Wan ◽

Tie-Zheng Ji ◽

Na Yi

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Proton Transfer ◽

Density Functional ◽

Metal Cations ◽

Intramolecular Proton Transfer ◽

Density Functional Theory Study ◽

Alkali Metal Cations ◽

Functional Theory

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