Hydrogen-Bond Acid/Base Catalysis:  A Density Functional Theory Study of Protonated Guanine-(Substituted) Cytosine Base Pairs as Models for Nucleophilic Attack on Mitomycin in DNA

J. J. Dannenberg; Maria Tomasz

doi:10.1021/ja993145i

Hydrogen-Bond Acid/Base Catalysis: A Density Functional Theory Study of Protonated Guanine-(Substituted) Cytosine Base Pairs as Models for Nucleophilic Attack on Mitomycin in DNA

Journal of the American Chemical Society ◽

10.1021/ja993145i ◽

2000 ◽

Vol 122 (9) ◽

pp. 2062-2068 ◽

Cited By ~ 36

Author(s):

J. J. Dannenberg ◽

Maria Tomasz

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Density Functional ◽

Base Catalysis ◽

Nucleophilic Attack ◽

Density Functional Theory Study ◽

Acid Base ◽

Base Pairs ◽

Functional Theory

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Elucidation of the active surface and origin of the weak metal–hydrogen bond on Ni/Pt(111) bimetallic surfaces: a surface science and density functional theory study

Surface Science ◽

10.1016/j.susc.2003.09.007 ◽

2003 ◽

Vol 544 (2-3) ◽

pp. 295-308 ◽

Cited By ~ 121

Author(s):

John R Kitchin ◽

Neetha A Khan ◽

Mark A Barteau ◽

Jingguang G Chen ◽

Boris Yakshinskiy ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Surface Science ◽

Density Functional ◽

Active Surface ◽

Density Functional Theory Study ◽

Functional Theory ◽

Bimetallic Surfaces

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Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20729f ◽

2011 ◽

Vol 13 (33) ◽

pp. 15299 ◽

Cited By ~ 25

Author(s):

Yufang Liu ◽

Yonggang Yang ◽

Kai Jiang ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Excited State ◽

Density Functional ◽

Dimethyl Sulfide ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Insight into the Relationship between Viscosity and Hydrogen Bond of a Series of Imidazolium Ionic Liquids: A Molecular Dynamics and Density Functional Theory Study

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.9b02535 ◽

2019 ◽

Vol 58 (40) ◽

pp. 18848-18854 ◽

Cited By ~ 4

Author(s):

Kun Jiang ◽

Lei Liu ◽

Xiaomin Liu ◽

Xiaochun Zhang ◽

Suojiang Zhang

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Hydrogen Bond ◽

Ionic Liquids ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Imidazolium Ionic Liquids ◽

The Relationship ◽

Insight Into

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Origin of the blue‐shifted hydrogen bond in the vibrational Raman spectra of pyridine–water complexes: A density functional theory study

Journal of Raman Spectroscopy ◽

10.1002/jrs.6205 ◽

2021 ◽

Author(s):

Vinay Sharma ◽

Sebastian Schlücker ◽

Sunil K. Srivastava

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Unraveling the structure of hydrogen bond stretching mode infrared absorption bands: An anharmonic density functional theory study on 7-azaindole dimers

The Journal of Chemical Physics ◽

10.1063/1.2759213 ◽

2007 ◽

Vol 127 (5) ◽

pp. 054309 ◽

Cited By ~ 49

Author(s):

Jens Dreyer

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Infrared Absorption ◽

Density Functional ◽

Density Functional Theory Study ◽

Absorption Bands ◽

Functional Theory ◽

Bond Stretching ◽

Infrared Absorption Bands

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Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry

The Journal of Chemical Physics ◽

10.1063/1.2759207 ◽

2007 ◽

Vol 127 (7) ◽

pp. 075104 ◽

Cited By ~ 25

Author(s):

Robert Sedlák ◽

Petr Jurečka ◽

Pavel Hobza

Keyword(s):

Density Functional Theory ◽

Nucleic Acid ◽

Density Functional ◽

Energy Decomposition ◽

Acid Base ◽

Base Pairs ◽

Functional Theory ◽

Nucleic Acid Base

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Matrix Isolation Infrared Spectroscopic and Density Functional Theory Study of the 1:1 Complex of Bromocyclohexane with NH3: Evidence for a Weak C–H–N Hydrogen Bond

Spectroscopy Letters ◽

10.1080/00387010802132409 ◽

2008 ◽

Vol 41 (4) ◽

pp. 179-188 ◽

Cited By ~ 1

Author(s):

Kyle R. Hess ◽

Cindy Samet

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Infrared Spectroscopic

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A density functional theory study of the hydrogen bond interactions in glycine dimers

Chemical Physics Letters ◽

10.1016/j.cplett.2007.07.077 ◽

2007 ◽

Vol 445 (4-6) ◽

pp. 117-124 ◽

Cited By ~ 16

Author(s):

Mariana F. de Carvalho ◽

Ricardo A. Mosquera ◽

Roberto Rivelino

Keyword(s):

Density Functional Theory ◽

Hydrogen Bond ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hydrogen Bond Interactions

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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 ◽

Cited By ~ 11

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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Hydrogen Bond and Proton Transport in Acid–Base Complexes and Amphoteric Molecules by Density Functional Theory Calculations and 1H and 31P Nuclear Magnetic Resonance Spectroscopy

The Journal of Physical Chemistry B ◽

10.1021/jp4094386 ◽

2013 ◽

Vol 117 (50) ◽

pp. 16345-16355 ◽

Cited By ~ 10

Author(s):

Liqing Xie ◽

Huiting Liu ◽

Shuaiyuan Han ◽

Baohua Yue ◽

Liuming Yan

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Hydrogen Bond ◽

Proton Transport ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Resonance Spectroscopy ◽

Acid Base ◽

Functional Theory ◽

Amphoteric Molecules

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