original ) (raw )A theoretical study of structures and electron affinities of radical anions of guanine-cytosine, adenine-thymine, and hypoxanthine-cytosine base pairs
Michaela Knapp-mohammady
Journal of Computational Chemistry, 2004
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Structural Chemistry, 2012
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Journal of Theoretical and Computational Chemistry, 2012
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Protonation of thymine, cytosine, adenine, and guanine DNA nucleic acid bases: Theoretical investigation into the framework of density functional theory
André Grand , Franck Jolibois
Journal of Computational Chemistry, 1998
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The effect of CH3, F and NO2 substituents on the individual hydrogen bond energies in the adenine–thymine and guanine–cytosine base pairs
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Journal of Computer-Aided Molecular Design, 2010
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Photoexcitation of Adenine Cation Radical [A•+ ] in the near UV−vis Region Produces Sugar Radicals in Adenosine and in Its Nucleotides
Amitava Adhikary
Journal of Physical Chemistry B, 2008
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Theoretical investigation of the coupling between the hydrogen transfer and the base pair opening in the adenine–thymine system
Giovanni Villani
Chemical Physics, 2007
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Theoretical determination of electron affinity and ionization potential of DNA and RNA bases
André Grand
Journal of Computational Chemistry, 2000
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A DFT Study of Hydrogen Bonding Between Adenine and Thymine
Roderick Macrae
eecs.evansville.edu
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Ab Initio Study of the Ionization of the DNA Bases: Ionization Potentials and Excited States of the Cations
Dominique Dehareng
The Journal of Physical Chemistry A, 2006
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C5'- and C3'-sugar radicals produced via photo-excitation of one-electron oxidized adenine in 2'-deoxyadenosine and its derivatives
Amitava Adhikary
Nucleic Acids Research, 2006
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Electron transfer vs. proton transfer within radical-cation clusters of guanosine and deoxyguanosine with substituted naphthalenes and sinapinic acid
Anna Napoli
Journal of the American Society for Mass Spectrometry, 2001
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Effect of Base Stacking on the Acid−Base Properties of the Adenine Cation Radical [A• + ] in Solution: ESR and DFT Studies
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Journal of the American Chemical Society, 2008
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A Perturbative Study of the Hydrogen Bonding in the Guanine- Cytosine Base Pair. Molecular Orbitals Correlation and Orbital Energy Shifts
Alberto Capparelli
Zeitschrift für Physikalische Chemie, 1985
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The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine-Thymine (AT) Base Pairs and Their Mimics
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ChemistryOpen, 2015
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Photoexcitation of Adenine Cation Radical [A •+ ] in the near UV−vis Region Produces Sugar Radicals in Adenosine and in Its Nucleotides
Amitava Adhikary
The Journal of Physical Chemistry B, 2008
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Electron transfer from aromatic amino acids to guanine and adenine radical cations in π stacked and T-shaped complexes
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Organic & Biomolecular Chemistry, 2010
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Electron affinities and ionization potentials of nucleotide bases
Russell Boyd
Chemical Physics Letters, 2000
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X-Irradiation of DNA Components in the Solid State: Experimental and Computational Studies of Stabilized Radicals in Guanine Derivatives
Nayana Jayatilaka
Physics & Astronomy Dissertations, 2006
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Adam Moser
Theoretical Chemistry Accounts, 2009
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A density functional theory study for the hydrogen-bonded nucleic acid base pair: cytosine dimer
Prabhat Kumar Sahu
The journal of physical chemistry. A, 2005
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Ground-State Properties of Nucleic Acid Constituents Studied by Density Functional Calculations. 3. Role of Sugar Puckering and Base Orientation on the Energetics and Geometry of 2‘-Deoxyribonucleosides and Ribonucleosides
Mahmoud Ghomi
Journal of Physical Chemistry B, 2000
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Interaction of Adenine Adducts with Thymine: A Computational Study
Shyi-Long Lee
Journal of Physical Chemistry B, 2007
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Atomic Fukui indices and orbital hardnesses of adenine, thymine, uracil, guanine and cytosine from density functional computations
Tzonka Mineva
Journal of Molecular Structure: THEOCHEM, 2010
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Ground and Excited States of Gas-Phase DNA Nucleobase Cation-Radicals. A UV–vis Photodisociation Action Spectroscopy and Computational Study of Adenine and 9-Methyladenine
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Journal of the American Society for Mass Spectrometry, 2020
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Protonation and deprotonation enthalpies of guanine and adenine and implications for the structure and energy of their complexes with water: comparison with uracil, …
Chandra Mt
The Journal of …, 1999
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Photoelectron spectroscopic and density functional theoretical studies of the 2ʹ-deoxycytidine homodimer radical anion
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The Journal of Chemical Physics, 2013
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Structure and stability of radicals and quantification of electrophilic reactivity
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2019
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Photoelectron spectroscopic and density functional theoretical studies of the 2′-deoxycytidine homodimer radical anion
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Journal of Chemical Physics, 2013
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Rafael Rey
2007
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The Molecular Electrostatic Potentials for the Nucleic Acid Bases" Adenine, Thymine, and Cytosine
rakesh swain
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Formation of H -Addition Radicals in Adenine Derivatives
E. Westhof
Zeitschrift für Naturforschung C, 1976
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The deprotonated guanine-cytosine base pair
Nancy Richardson
2006
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Computational Study of Substituent Effects on the Interaction Energies of Hydrogen-Bonded Watson−Crick Cytosine:Guanine Base Pairs
Paul Popelier
The Journal of Physical Chemistry B, 2008
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Solvent effects on electron-driven proton-transfer processes: adenine–thymine base pairs
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Physical Chemistry Chemical Physics, 2012
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