about
The determinants of bond angle variability in protein/peptide backbones: A comprehensive statistical/quantum mechanics analysis.Peptide bond distortions from planarity: new insights from quantum mechanical calculations and peptide/protein crystal structures.Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotideInsights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation.Excited states behavior of nucleobases in solution: insights from computational studies.Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases.Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides.Bond distances in polypeptide backbones depend on the local conformation.Quantum-classical effective-modes dynamics of the pipi* --> npi* decay in 9H-adenine. A quadratic vibronic coupling model.Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: a joint theoretical and experimental study.UV-light-induced hydrogen transfer in guanosine-guanosine aggregates.Absorption of Low-Energy UV Radiation by Human Telomere G-Quadruplexes Generates Long-Lived Guanine Radical Cations.Photoinduced Electron Transfer in DNA: Charge Shift Dynamics Between 8-Oxo-Guanine Anion and Adenine.Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The ππ*/nπ* Decay of Thymine in Water as a Test Case.Specific Recognition of G-Quadruplexes Over Duplex-DNA by a Macromolecular NIR Two-Photon Fluorescent Probe.Adenine radicals generated in alternating AT duplexes by direct absorption of low-energy UV radiation.Photoactivated proton coupled electron transfer in DNA: insights from quantum mechanical calculations.Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex.Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy.UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level.TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids.Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution.Barrierless photoisomerisation of the "simplest cyanine": joining computational and femtosecond optical spectroscopies to trace the full reaction path.High-Energy Long-Lived Mixed Frenkel-Charge-Transfer Excitons: From Double Stranded (AT)n to Natural DNA.Excited-State Dynamics of DNA Duplexes with Different H-Bonding Motifs.Novel adenine/thymine photodimerization channels mapped by PCM/TD-DFT calculations on dApT and TpdA dinucleotides.UV-Induced Proton Transfer between DNA Strands.Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics study.Effect of C5-Methylation of Cytosine on the Photoreactivity of DNA: A Joint Experimental and Computational Study of TCG TrinucleotidesElectronic Excited States Responsible for Dimer Formation upon UV Absorption Directly by Thymine Strands: Joint Experimental and Theoretical StudyPhotoinduced long-lived charge transfer excited states in AT-DNA strandsMode-specific vibrational relaxation of photoexcited guanosine 5′-monophosphate and its acid form: a femtosecond broadband mid-IR transient absorption and theoretical studyRelative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD SpectraSolvent effects on electron-driven proton-transfer processes: adenine–thymine base pairsAbsorption and Emission Spectral Shapes of a Prototype Dye in Water by Combining Classical/Dynamical and Quantum/Static ApproachesQuantum-Classical Calculation of the Absorption and Emission Spectral Shapes of Oligothiophenes at Low and Room Temperature by First-Principle CalculationsVibrationally Resolved Absorption and Emission Spectra of Dithiophene in the Gas Phase and in Solution by First-Principle Quantum Mechanical CalculationsComputing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approachThe Interplay between ππ*/nπ* Excited States in Gas-Phase Thymine: A Quantum Dynamical StudyStabilization of Mixed Frenkel-Charge Transfer Excitons Extended Across Both Strands of Guanine–Cytosine DNA Duplexes
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Roberto Improta
@ast
Roberto Improta
@en
Roberto Improta
@es
Roberto Improta
@nl
type
label
Roberto Improta
@ast
Roberto Improta
@en
Roberto Improta
@es
Roberto Improta
@nl
prefLabel
Roberto Improta
@ast
Roberto Improta
@en
Roberto Improta
@es
Roberto Improta
@nl
P106
P21
P31
P496
0000-0003-1004-195X