CNR Institutional Research Information System

BARONE, VINCENZO
 Distribuzione geografica
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Continente #
AS - Asia 1.274
NA - Nord America 737
SA - Sud America 232
EU - Europa 214
AF - Africa 30
Continente sconosciuto - Info sul continente non disponibili 1
Totale 2.488
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Nazione #
US - Stati Uniti d'America 711
SG - Singapore 590
CN - Cina 309
BR - Brasile 189
VN - Vietnam 107
HK - Hong Kong 104
FR - Francia 85
KR - Corea 67
DE - Germania 24
GB - Regno Unito 23
AR - Argentina 17
CA - Canada 16
IT - Italia 16
IN - India 14
JP - Giappone 14
BD - Bangladesh 11
IL - Israele 10
NL - Olanda 10
FI - Finlandia 9
ES - Italia 8
MA - Marocco 8
SA - Arabia Saudita 8
PL - Polonia 7
UZ - Uzbekistan 7
EG - Egitto 6
ID - Indonesia 6
TN - Tunisia 6
BE - Belgio 5
EC - Ecuador 5
IQ - Iraq 5
MX - Messico 5
RU - Federazione Russa 5
AE - Emirati Arabi Uniti 4
CO - Colombia 4
JM - Giamaica 4
LT - Lituania 4
PK - Pakistan 4
UY - Uruguay 4
VE - Venezuela 4
CH - Svizzera 3
CL - Cile 3
KE - Kenya 3
PE - Perù 3
PH - Filippine 3
PY - Paraguay 3
TR - Turchia 3
ZA - Sudafrica 3
AT - Austria 2
BY - Bielorussia 2
MN - Mongolia 2
MR - Mauritania 2
SE - Svezia 2
TH - Thailandia 2
UA - Ucraina 2
AL - Albania 1
CG - Congo 1
DK - Danimarca 1
DZ - Algeria 1
EE - Estonia 1
GE - Georgia 1
HN - Honduras 1
IE - Irlanda 1
KG - Kirghizistan 1
KW - Kuwait 1
NO - Norvegia 1
NP - Nepal 1
PT - Portogallo 1
RS - Serbia 1
XK - ???statistics.table.value.countryCode.XK??? 1
Totale 2.488
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Città #
Santa Clara 390
Singapore 332
Hefei 157
Hong Kong 103
San Jose 68
Seoul 65
Lauterbourg 55
Beijing 47
Ho Chi Minh City 43
Ashburn 37
Dallas 24
Los Angeles 20
São Paulo 19
Hanoi 14
Frankfurt am Main 12
Da Nang 11
New York 11
Minamishinagawa 10
Buffalo 9
Bengaluru 8
Belo Horizonte 7
Helsinki 7
Warsaw 6
Atlanta 5
Curitiba 5
Düsseldorf 5
London 5
Tashkent 5
Toronto 5
Brussels 4
Buenos Aires 4
Haiphong 4
Porto Alegre 4
Rio de Janeiro 4
Amsterdam 3
Brooklyn 3
Bắc Ninh 3
Casablanca 3
Córdoba 3
Denver 3
Elk Grove Village 3
Guangzhou 3
Joinville 3
Kingston 3
Magé 3
Mauá 3
Montevideo 3
Nairobi 3
Ninh Bình 3
Osasco 3
Ottawa 3
Quito 3
Riyadh 3
Sohag 3
Tokyo 3
Asunción 2
Bauru 2
Belford Roxo 2
Biên Hòa 2
Cachoeiras de Macacu 2
Cairo 2
Chicago 2
Cincinnati 2
City of London 2
Dammam 2
Dubai 2
Fort Worth 2
Istanbul 2
Johannesburg 2
Lahore 2
Lappeenranta 2
Luziânia 2
Mariana 2
Medina 2
Minsk 2
Montreal 2
Naples 2
Natal 2
New Delhi 2
Nouakchott 2
Nuremberg 2
Paris 2
Phú Nhuận 2
Piracicaba 2
Ponta Grossa 2
Poplar 2
Portsmouth 2
Praia Grande 2
Recife 2
Salvador 2
Samarkand 2
Santiago 2
Sinop 2
Stockholm 2
São José do Rio Preto 2
São Luís 2
Taubaté 2
The Bronx 2
Thái Bình 2
Tunis 2
Totale 1.658
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Nome #
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations 89
The interplay between pipi* and npi* lowest excited states in nonradiative decay of photoexcited thymine 84
Chemistry of nitrated lipids: remarkable instability of 9-nitrolinoleic acid in neutral aqueous medium and a novel nitronitrate ester product by concurrent autooxidation/nitric oxide-release pathways 69
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface 65
The Italian National Project of Astrobiology-Life in Space-Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 63
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets 55
The ÀÀ*/nÀ* decay in photoexcited pyrimidine nucleobases. A quantum dynamical study Holistic Computational Spectroscopy: innovative concepts, modern tools, strategic vision and challenges 55
Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution 54
Quantum dynamics of ultrafast photoinduced processes in biological molecules 53
Bottom-up approach to innovative memory devices. I. Intrinsic and environmental effects on the molecular component 50
Vibronically resolved electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone: A theoretical study 49
Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case 49
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 49
On the interpretation of cw-ESR spectra of tempo-palmitate in 5-cyanobipheny 48
Time-independent approaches to simulate electronic spectra lineshapes. From small molecules to mactrosystems , in Computational Strategies for Spectroscopy: from Small Molecules to Nano Systems 40
Theoretical Study of the Conformational and Optical Properties of a Fluorescent Sensor Grafted on Apolar Polymer Structures 40
Quantum dynamics of the photodeactivation mechanisms in DNA single nucleobases and oligomers 40
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution 40
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach 39
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. 39
Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties 38
Quantum Dynamics of the Ultrafast pi pi*/n pi* Population Transfer in Uracil and 5-Fluoro-Uracil in Water and Acetonitrile 38
Efficient time-independent method for the calculation of resonance Raman spectra in sizeable molecules including Duschinsky and Herzberg-Teller effects 38
Differences in the lineshapes of absorption and emission electronic spectra in gas phase and in polar solution 38
Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study 38
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing 37
Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations 37
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach 37
Direct role of surface oxygen vacancies in visible light emission of tin dioxide nanowires 37
Quantum dynamics of the photodeactivation processes in DNA nucleobases. The pipi*/npi* decay in uracil 36
Structural and dynamical properties of the Hg2+ aqua ion: a Molecular Dynamics study 36
Computation of the lineshape of electronic spectra in solution within polarizable continuum models: Accounting for both vibrational structure and inhomogeneous broadening 35
Extension of the AMBER force-field for the study of large nitroxides in condensed phases: an ab initio parameterization 35
An effective method to compute vibrationally resolved optical spectra of large molecules in solution including Duschinsky, temperature and Herzberg-Teller effects 35
The excited states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study 35
Computational approach to the study of the lineshape of absorption and electronic circular dichroism spectra 34
Cyclic Structural Motifs in 5,6-Dihydroxyindole Polymerization Uncovered: Biomimetic Modular Buildup of a Unique Five-Membered Macrocycle 32
Role and Effective Treatment of Dispersive Forces in Materials: Polyethylene and Graphite Crystals as Test Cases 31
Extension of the AMBER force-field for the study of large nitroxides in condensed phases: an ab initio parameterization 31
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 30
Theoretical modeling of open-shell molecules in solution: a QM/MM molecular dynamics approach 29
Electrostatic effects on cluster simulation of ionic crystals and surfaces 27
The absorption spectra of TA DNA unravelled by quantum mechanical calculations in solution on the (dT)2(dA)2 tetramer 27
An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments 27
Toward an integrated computational approach for the description of localized physico-chemical properties involving biomolecules 27
Pulse ENDOR and density functional theory on the peridinin triplet state involved in the photo-protective mechanism in the peridinin-chlorophyll a-protein from Amphidinium carterae 27
Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case 27
Structural and conformational investigation of nemorosone: a combined X ray and ab initio study 27
The excited states of adenine and thymine nucleoside and nucleotide in aq aueous solution: a comparative study by Time-Dependent DFT calculations 26
Integrated experimental and theoretical approach for the structural characterization of Hg2+ aqueous solutions 26
Accurate First-Principle Prediction of 29Si and 17O NMR Parameters in SiO2 polymorphs: The cases of zeolites Sigma-2 and Ferrierite 26
Ab Initio Prediction of the Emission Color in Phosphorescent Iridium(III) Complexes for OLEDs 26
Accurate and feasible computations of structural and magnetic properties of large free radicals: the PBE0/N07D model 25
An integrated approach for modeling the fluorescence of DMABN in polar environments 25
General approach to compute vibrationally resolved one-photon electronic spectra 25
VIBRATIONALLY RESOLVED LINEAR AND NONLINEAR ELECTRONIC CIRCULAR DICHROISM SPECTRA 24
Extension of the AMBER Force-Field for the Study of Nitroxide Systems 24
Density functional study of the SnO2 surface and subsurface sites 24
Implementation and validation of DFT-D for molecular vibrations and dynamics: the benzene dimer as a case study 24
A hybrid explicit/implicit solvation model for first principle molecular dynamics simulations in condensed phase 23
Microsolvation of the Zn(II) ion in aqueous solution: an hybrid QM/MM MD approach using non-periodic boundary conditions 23
Development and validation of the B3LYP/N07D computational model for structural parameter and magnetic tensors of large free radicals 23
A discrete/continuum QM/MM/MD study of the triplet state of acetone in aqueous solution 22
Structural effects on the electronic absorption properties of 5,6-dihydroxyindole oligomers: the potential of an integrated experimental and DFT approach to model eumelanin optical properties 22
Quantum dynamics of ultrafast photoinduced processes in biological molecules 21
Phototransformation of the drug trazodone in aqueous solution 21
Structure and ESR features of a radiation-induced radical in a-glycine crystals 20
Cross-linked adducts between guanine and thymine mediated by hydroxyl radical and one-electron oxidation: a theoretical study 20
Can TD-DFT calculations accurately describe the excited states of stacked nucleobases?: The cytosine dimer as a test case 18
Accurate TD-DFT calculations of near-edge x-ray and optical absorption spectra of liquid water using non-periodic boundary conditions: The role of self-interaction and long-range effects 17
Totale 2.501
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Categoria #
all - tutte 8.026
article - articoli 6.520
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 210
Totale 14.756
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2023/202410 0 0 0 0 0 0 0 0 1 0 8 1
2024/20251.147 2 5 87 38 376 42 4 64 25 37 244 223
2025/20261.344 83 158 128 221 317 27 176 66 50 94 24 0
Totale 2.501