about
Glucose-Nucleobase Pseudo Base Pairs: Biomolecular Interactions within DNAComputational understanding and experimental characterization of twice-as-smart quadruplex ligands as chemical sensors of bacterial nucleotide second messengersThermodynamic aspects of aurophilic hydrogelators.The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine-Thymine (AT) Base Pairs and Their Mimics.Pi-pi stacking tackled with density functional theoryB-DNA Structure and Stability as Function of Nucleic Acid Composition: Dispersion-Corrected DFT Study of Dinucleoside Monophosphate Single and Double StrandsAlkali Metal Cation versus Proton and Methyl Cation Affinities: Structure and Bonding Mechanism.Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X.A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases.How the disulfide conformation determines the disulfide/thiol redox potential.Hydrogen bonds of RNA are stronger than those of DNA, but NMR monitors only presence of methyl substituent in uracil/thymine.Rare tautomers of 1-methyluracil and 1-methylthymine: tuning relative stabilities through coordination to PtII complexes.Enhanced π-Back-Donation as a Way to Higher Coordination Numbers in d10 [M(NHC)n ] Complexes: A DFT Study.Protonation of a biologically relevant Cu(II) μ-thiolate complex: ligand dissociation or formation of a protonated Cu(I) disulfide species?Thermodynamics of the Cu(II) μ-thiolate and Cu(I) disulfide equilibrium: a combined experimental and theoretical study.The donor-stabilized silylene bis[N,N'-diisopropylbenzamidinato(-)]silicon(II): synthesis, electronic structure, and reactivity.Supramolecular switches based on the guanine-cytosine (GC) Watson-Crick pair: effect of neutral and ionic substituents.Mixed guanine, adenine base quartets: possible roles of protons and metal ions in their stabilization.Modified Guanines as Constituents of Smart Ligands for Nucleic Acid Quadruplexes.Nature of Intramolecular Resonance Assisted Hydrogen Bonding in Malonaldehyde and Its Saturated Analogue.Source of Cooperativity in Halogen-Bonded Haloamine Tetramers.Cooperativity in the Self-Assembly of the Guanine Nucleobase into Quartet and Ribbon Structures on Surfaces.Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table.Isohexide Dinitriles: A Versatile Family of Renewable Platform Chemicals.The evaluation of 5-amino- and 5-hydroxyuracil derivatives as potential quadruplex-forming agents.Hydrogen-Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled.Relevance of Orbital Interactions and Pauli Repulsion in the Metal-Metal Bond of Coinage Metals.Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.Telomere structure and stability: covalency in hydrogen bonds, not resonance assistance, causes cooperativity in guanine quartets.Silver(I)-mediated Hoogsteen-type base pairs.Hypervalent silicon versus carbon: ball-in-a-box model.Six-coordinate Group 13 complexes: the role of d orbitals and electron-rich multi-center bonding.Dihydrogen bonding: donor-acceptor bonding (AH...HX) versus the H2 molecule (A-H2-X).How Mg2+ ions lower the SN2@P barrier in enzymatic triphosphate hydrolysis.Reactions of the donor-stabilized silylene bis[N,N'-diisopropyl-benzamidinato(-)]silicon(II) with Brønsted acids.Glucose-nucleobase pairs within DNA: impact of hydrophobicity, alternative linking unit and DNA polymerase nucleotide insertion studies.Covalency in Highly Polar Bonds. Structure and Bonding of Methylalkalimetal Oligomers (CH3M)n(M = Li−Rb;n= 1, 4)Hypervalent Carbon Atom: “Freezing” the SN2 Transition StateThe influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A–T and A–U base pairsB-DNA structure and stability: the role of hydrogen bonding, π–π stacking interactions, twist-angle, and solvation
P50
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P50
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description
hulumtuese
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wetenschapper
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հետազոտող
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name
Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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C.F. Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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Célia Fonseca Guerra
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P1006
P1006
P21
P2456
P2798
P31
P496
0000-0002-2973-5321
P7449
PRS1314783