CNR Institutional Research Information System

IMPROTA, ROBERTO
 Distribuzione geografica
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Continente #
NA - Nord America 592
AS - Asia 371
EU - Europa 174
SA - Sud America 1
Totale 1.138
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Nazione #
US - Stati Uniti d'America 582
SG - Singapore 363
IT - Italia 119
FI - Finlandia 16
GB - Regno Unito 11
BE - Belgio 9
CA - Canada 9
DE - Germania 5
LT - Lituania 5
NL - Olanda 4
KR - Corea 3
PH - Filippine 2
AT - Austria 1
AZ - Azerbaigian 1
CN - Cina 1
CO - Colombia 1
CZ - Repubblica Ceca 1
HU - Ungheria 1
MX - Messico 1
SE - Svezia 1
SK - Slovacchia (Repubblica Slovacca) 1
UZ - Uzbekistan 1
Totale 1.138
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Città #
Santa Clara 498
Singapore 233
Helsinki 16
Brussels 8
Toronto 8
Cascina 6
Naples 5
Florence 4
London 4
Los Angeles 3
Aversa 2
Frankfurt am Main 2
Manila 2
Phoenix 2
Pisa 2
Reston 2
Rome 2
Seoul 2
Amsterdam 1
Antwerp 1
Ashburn 1
Baku 1
Bogotá 1
Bratislava 1
Forest City 1
Guangzhou 1
Mexico City 1
New York 1
Ottawa 1
Parma 1
Prague 1
Sopron 1
Stockholm 1
Tashkent 1
Vienna 1
Totale 818
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Nome #
Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair 24
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies 23
Non-adiabatic direct quantum dynamics using force fields: Toward solvation 23
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study 21
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study 21
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study 20
Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases 19
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study 17
Early steps of oxidative damage in DNA quadruplexes are position-dependent: Quantum mechanical and molecular dynamics analysis of human telomeric sequence containing ionized guanine 17
Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives 15
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings 15
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine 15
The ÀÀ*/nÀ* decay in photoexcited pyrimidine nucleobases. A quantum dynamical study Holistic Computational Spectroscopy: innovative concepts, modern tools, strategic vision and challenges 15
Shedding Light on the Photophysics and Photochemistry of I-Motifs Using Quantum Mechanical Calculations 15
Thienoguanosine, a unique non-perturbing reporter for investigating rotational dynamics of DNA duplexes and their complexes with proteins 15
Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization 15
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase 15
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods 14
The interplay between pipi* and npi* lowest excited states in nonradiative decay of photoexcited thymine 13
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform 13
DNA Photodamage: From Light Absorption to Cellular Responses and Skin Cancer 13
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model 13
The excited states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study 13
The Excited State Dynamics of a Mutagenic Guanosine Etheno Adduct Investigated by Femtosecond Fluorescence Spectroscopy and Quantum Mechanical Calculations 12
The Excited State Dynamics of a Mutagenic Cytidine Etheno Adduct Investigated by Combining Time-Resolved Spectroscopy and Quantum Mechanical Calculations 12
Studying the excited electronic states of guanine rich DNA quadruplexes by quantum mechanical methods: main achievements and perspectives 12
Computation of the lineshape of electronic spectra in solution within polarizable continuum models: Accounting for both vibrational structure and inhomogeneous broadening 12
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases 12
Ag+-Mediated Folding of Long Polyguanine Strands to Double and Quadruple Helixes 12
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach 12
Quantum Dynamics of ultrafast photoinduced processes in biological molecules 11
CHAPTER 1: Photoinduced Processes in DNA: Basic Theoretical and Experimental Features 11
Benzophenone photophore flexibility and proximity: molecular and crystal-state structure of a bpa-containing trichogin dodecapeptide analogue. 11
Towards the understanding of the excited state dynamics of nucelic acids: Solvent and stacking effects on the photophysical behaviour of nucleobases, 11
Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States 11
Vibronic Model for the Quantum Dynamical Study of the Competition between Bright and Charge-Transfer Excited States in Single-Strand Polynucleotides: The Adenine Dimer Case 11
Photophysical characterization of isothiazologuanosine, a unique isomorphic and isofunctional fluorescent analogue of guanosine 11
Quantum Dynamics of the Ultrafast pi pi*/n pi* Population Transfer in Uracil and 5-Fluoro-Uracil in Water and Acetonitrile 11
Ultrafast Formation of a Delocalized Triplet-Excited State in an Epigenetically Modified DNA Duplex under Direct UV Excitation 11
Differences in the lineshapes of absorption and emission electronic spectra in gas phase and in polar solution 11
Quantum dynamics of the photodeactivation mechanisms in DNA single nucleobases and oligomers 11
Quantum dynamics of the photodeactivation processes in DNA nucleobases. The pipi*/npi* decay in uracil 11
CHAPTER 2: Photoinduced Dimerization in DNA: Singlet Excited State Reaction Paths 11
The photophysics of protonated cytidine and hemiprotonated cytidine base pair: A computational study 11
Thienoguanosine brightness in DNA duplexes is governed by the localization of its ππ∗ excitation in the lowest energy absorption band 11
Quantum dynamics of ultrafast photoinduced processes in biological molecules 10
Time-dependent and time-independent approaches for the computation of absorption spectra of Uracil derivatives in solution 10
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution 10
Vibrations of the guanine{\textendash}cytosine pair in chloroform: an anharmonic computational study 10
An effective method to compute vibrationally resolved optical spectra of large molecules in solution including Duschinsky, temperature and Herzberg-Teller effects 10
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study. 10
Adenine Radical Cation Formation by a Ligand-Centered Excited State of an Intercalated Chromium Polypyridyl Complex Leads to Enhanced DNA Photo-oxidation 10
The Structural Duality of Nucleobases in Guanine Quadruplexes Controls Their Low-Energy Photoionization 9
Photoactivated proton coupled electron transfer in DNA: insights from quantum mechanical calculations 9
An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius 9
Potassium Ions Enhance Guanine Radical Generation upon Absorption of Low-Energy Photons by G-Quadruplexes and Modify Their Reactivity 8
Absorption and electroabsorption spectra of [(NH3)5Ru-pyrazine]+2 and [(NH3)5Ru-pyrazine-H]+3 by vibronic model Hamiltonian 8
Quantum dynamics of ultrafast photoinduced processes in biological molecules 8
Absorption and electroabsorption spectra of [(NH3)5Ru-pyrazine]2+ and [(NH3)5Ru-pyrazine-H]3+ by a vibronic model Hamiltonian 8
Solvent effect on the singlet excited state lifetimes of nucleic acid bases: a computational study of 5-fluorouracil and uracil in acetonitrile and water 8
Quantum Dynamics of the Ultrafast ÀÀ*/ nÀ* Population Transfer in Uracil and 5Fluoro-Uracil in Water and Acetonitrile 7
Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution 7
Deciphering the pH-dependence of ground- A nd excited-state equilibria of thienoguanine 7
Barrierless photoisomerisation of the ''simplest cyanine'': Joining computational and femtosecond optical spectroscopies to trace the full reaction path 7
Excited State Dynamics of 8-Vinyldeoxyguanosine in Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations 7
Excited States Behavior of Nucleobases in Solution: Insights from Computational Studies 7
Electronic spectroscopy of a solvatochromic dye in water: comparison of static cluster/implicit and dynamical/explicit solvent models on structures and energies 7
Interplay between "neutral" and "charge-transfer"excimers rules the excited state decay in adenine-rich polynucleotides 7
Erratum: Potassium Ions Enhance Guanine Radical Generation upon Absorption of Low-Energy Photons by G-Quadruplexes and Modify Their Reactivity (The Journal of Physical Chemistry Letters (2020) 11:4 (1305−1309) DOI: 10.1021/acs.jpclett.9b03667) 7
combined femtosecond fluorescence and TD-DFT study of uracil derivatives in aqueous solution Femtochemistry VII Fundamental Ultrafast Processes 7
Benzophenone Photophore Flexibility and Proximity: Molecular and Crystal Structure of a Bpa-Containing Trichogin Dodecapeptide Analogue. 6
Thiophene pyrenyl derivatives for the supramolecular processability of single-walled carbon nanotubes in thin film heterojunction 6
The absorption spectra of TA DNA unravelled by quantum mechanical calculations in solution on the (dT)2(dA)2 tetramer 6
The optical properties of adenine cation in different oligonucleotides: a PCM/TD-DFT study 6
The excited state behavior of DNA components: from the insulated nucleobases to the double strand 6
The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study 6
Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA Duplex 6
Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine–Cytosine Stacked Dimers: A Quantum Dynamical Investigation 6
Bond distances in polypeptide backbones depend on the local conformation 6
Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model 6
A detailed picture of stereoelectronic effects associated with peptide group distortions in peptides and proteins 6
UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods 6
Can TD-DFT calculations accurately describe the excited states of stacked nucleobases?: The cytosine dimer as a test case 6
Specific Recognition of G-Quadruplexes Over Duplex-DNA by a Macromolecular NIR Two-Photon Fluorescent Probe 5
Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics study 5
Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations 5
The excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study 5
Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues 5
Computing the inhomogeneousbroadening of electronic transitions in solution: a first-principle quantummechanical approach 5
Solvent Effect on the Singlet Excited State Dynamics of 5-Fluorouracil in Acetonitrile as Compared to Water 5
Vibrationally Resolved Absorption and Emission Spectra of Dithiophene in the Gas Phase and in Solution by First-Principle Quantum Mechanical Calculations 5
On the controversial nature of the 11Bu and 21Bu states of trans-stilbene: the n-electron valence state perturbation theory approach 5
A plausible mechanism of electron transfer between quinones in photosynthetic reaction centers 5
Accurate Steady-State and Zero-Time Fluorescence Spectra of Large Molecules in Solution by a First-Principle Computational Method 5
Optical absorption and magnetic circular dichroism spectra of thiouracils: A quantum mechanical study in solution 5
Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model 5
High-Energy Long-Lived Mixed Frenkel-Charge-Transfer Excitons: From Double Stranded (AT)(n) to Natural DNA 5
UV-Light-Induced Hydrogen Transfer in Guanosine-Guanosine Aggregates 5
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases 5
Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models 5
Totale 1.003
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Categoria #
all - tutte 6.440
article - articoli 5.381
book - libri 37
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 151
Totale 12.009
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2023/202474 0 0 0 0 0 0 0 0 1 0 13 60
2024/20251.170 22 10 286 133 507 73 7 132 0 0 0 0
Totale 1.244