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Hetero-Ring-Expansion Design for Adenine-Based DNA Motifs: Evidence from DFT Calculations and Molecu
Metal Ions Regulate Radical Type and Proton-Coupled Electron Transfer Channel: σ-radical vs π-radica
Effect of Metal Ions Regulate Radical Type and Proton-Coupled Electron Transfer Channel: σ-radical v
On the Binding Strength Sequence for Nucleic Acid Bases and C60 with Density Functional and Dispersi
Excess Electron Solvation in an Imidazolium-Based Room-Temperature Ionic Liquid Revealed by Ab Initi
Isomerization of HNO to HON in the Singlet State Assisted by Amino Acid Residues and/or Water Molecu
Internucleotide J-Couplings and Chemical Shifts of the NH…N Hydrogen-Bonds in Radiation-Damaged Guan
Interaction site preference between carbon nanotube and nifedipine: A combined density functional th
Remarkable Metal Counterion Effect on the Internucleotide J-Couplings and Chemical Shifts of the N?H
Characterizing the Properties of the N7,N9-Dimethylguaninium Chloride Ion Pairs: Prospecting for the
Factors Determining the Deriving Force of DNA Formation: Geometrical Differences of Base Pairs, Dehy
Pairing strength and proton characters of the N7,N9-dimethylated GC and AT base pairs: a density fun
Theoretical Study on the Gas-Phase Acidity of Multiple Sites of Cu+?Adenine and Cu2+?Adenine Complex
States and Migration of an Excess Electron in a Pyridinium-Based Room-Temperature Ionic Liquid: An A
Theoretical study on the enantioselective α-amination reaction of 1,3-dicarbonyl compounds catalyzed
Theoretical studies on the coupling interactions in H2SO4...HOO....(H2O)n (n = 0–2) clusters: toward
Theoretical evidence on O–N type smiles rearrangement mechanism: a computational study on the intram
Assembly and Stabilization of Multi-Amino Acid Zwitterions by the Zn(II) Ion: A Computational Explor
Theoretical prediction of size-expansion effect on the C8-site activity in the modified guanine-cyto
The capture of .H and .OH radicals by vitamin C and implications for the new source for the formatio
Absorption and Fluorescence Emission Spectroscopic Characters of Naphtho-Homologated yy-DNA Bases an
Negative Dissociation Energy Phenomenon of Metastable H-Bonds as Revealed in Triplex DNA Hole Migrat
Tethered-Hopping Model for Protein-DNA Binding and Unbinding Based on Sox2-Oct1-Hoxb1 Ternary Comple
Solvation of Excess Electrons in LiF Ionic Pair Matrix:Evidence for a Solvated Dielectron from Ab In
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