CNR Institutional Research Information System

BARONE, VINCENZO
 Distribuzione geografica
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Continente #
AS - Asia 1.279
NA - Nord America 790
SA - Sud America 233
EU - Europa 222
AF - Africa 30
Continente sconosciuto - Info sul continente non disponibili 1
Totale 2.555
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Nazione #
US - Stati Uniti d'America 761
SG - Singapore 591
CN - Cina 309
BR - Brasile 189
VN - Vietnam 108
HK - Hong Kong 104
FR - Francia 85
KR - Corea 67
DE - Germania 24
GB - Regno Unito 23
IT - Italia 22
AR - Argentina 18
CA - Canada 16
BD - Bangladesh 14
IN - India 14
JP - Giappone 14
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
JM - Giamaica 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
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
NO - Norvegia 2
SE - Svezia 2
TH - Thailandia 2
UA - Ucraina 2
AL - Albania 1
CG - Congo 1
CR - Costa Rica 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
LU - Lussemburgo 1
NP - Nepal 1
PT - Portogallo 1
RS - Serbia 1
XK - ???statistics.table.value.countryCode.XK??? 1
Totale 2.555
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Città #
Santa Clara 391
Singapore 332
Hefei 157
Hong Kong 103
San Jose 68
Seoul 65
Lauterbourg 55
Beijing 47
Ashburn 45
Ho Chi Minh City 43
Dallas 24
Los Angeles 20
São Paulo 19
Hanoi 14
Frankfurt am Main 12
Da Nang 11
New York 11
Buffalo 10
Minamishinagawa 10
Bengaluru 8
Belo Horizonte 7
Helsinki 7
Warsaw 6
Atlanta 5
Curitiba 5
Düsseldorf 5
Kingston 5
London 5
Tashkent 5
Toronto 5
Brooklyn 4
Brussels 4
Buenos Aires 4
Haiphong 4
Porto Alegre 4
Rio de Janeiro 4
Amsterdam 3
Bắc Ninh 3
Casablanca 3
Chicago 3
Córdoba 3
Denver 3
Elk Grove Village 3
Fort Lauderdale 3
Guangzhou 3
Joinville 3
Magé 3
Mauá 3
Montevideo 3
Nairobi 3
Ninh Bình 3
Osasco 3
Ottawa 3
Phoenix 3
Quito 3
Riyadh 3
Sohag 3
Tokyo 3
Alpharetta 2
Asunción 2
Bauru 2
Belford Roxo 2
Biên Hòa 2
Cachoeiras de Macacu 2
Cairo 2
Cincinnati 2
City of London 2
Claremont 2
Dammam 2
Dubai 2
Fort Worth 2
Germantown 2
Grand Island 2
Istanbul 2
Johannesburg 2
Katy 2
Lahore 2
Lappeenranta 2
Livingston 2
Luziânia 2
Mariana 2
Marion 2
Medina 2
Melbourne 2
Minsk 2
Montreal 2
Naples 2
Natal 2
New Delhi 2
New Port Richey 2
Nouakchott 2
Nuremberg 2
Orrville 2
Paris 2
Phú Nhuận 2
Piracicaba 2
Ponta Grossa 2
Poplar 2
Portsmouth 2
Praia Grande 2
Totale 1.674
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Nome #
Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations 91
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 67
The Italian National Project of Astrobiology-Life in Space-Origin, Presence, Persistence of Life in Space, from Molecules to Extremophiles 64
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets 57
The ÀÀ*/nÀ* decay in photoexcited pyrimidine nucleobases. A quantum dynamical study Holistic Computational Spectroscopy: innovative concepts, modern tools, strategic vision and challenges 57
Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution 56
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
Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach 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
On the interpretation of cw-ESR spectra of tempo-palmitate in 5-cyanobipheny 48
Quantum dynamics of the photodeactivation mechanisms in DNA single nucleobases and oligomers 42
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution 42
Time-independent approaches to simulate electronic spectra lineshapes. From small molecules to mactrosystems , in Computational Strategies for Spectroscopy: from Small Molecules to Nano Systems 41
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach 41
Theoretical Study of the Conformational and Optical Properties of a Fluorescent Sensor Grafted on Apolar Polymer Structures 41
Efficient time-independent method for the calculation of resonance Raman spectra in sizeable molecules including Duschinsky and Herzberg-Teller effects 41
Realistic Modeling of Fluorescent Dye-Doped Silica Nanoparticles: A Step Toward the Understanding of their Enhanced Photophysical Properties 40
Organic Functionalization and Optimal Coverage of a Silicon(111) Surface in Solvent: A Computational Study 40
Computation of the lineshape of electronic spectra in solution within polarizable continuum models: Accounting for both vibrational structure and inhomogeneous broadening 39
Differences in the lineshapes of absorption and emission electronic spectra in gas phase and in polar solution 39
Quantum dynamics of the photodeactivation processes in DNA nucleobases. The pipi*/npi* decay in uracil 39
Interactions of Nucleotide Bases with Decorated Si Surfaces from Molecular Dynamics Simulations 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
Quantum Dynamics of the Ultrafast pi pi*/n pi* Population Transfer in Uracil and 5-Fluoro-Uracil in Water and Acetonitrile 38
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensing 38
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach 38
Structural and dynamical properties of the Hg2+ aqua ion: a Molecular Dynamics study 37
Direct role of surface oxygen vacancies in visible light emission of tin dioxide nanowires 37
Computational approach to the study of the lineshape of absorption and electronic circular dichroism spectra 36
Cyclic Structural Motifs in 5,6-Dihydroxyindole Polymerization Uncovered: Biomimetic Modular Buildup of a Unique Five-Membered Macrocycle 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
Role and Effective Treatment of Dispersive Forces in Materials: Polyethylene and Graphite Crystals as Test Cases 32
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
Ab Initio Prediction of the Emission Color in Phosphorescent Iridium(III) Complexes for OLEDs 30
Theoretical modeling of open-shell molecules in solution: a QM/MM molecular dynamics approach 29
Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case 29
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 28
Accurate First-Principle Prediction of 29Si and 17O NMR Parameters in SiO2 polymorphs: The cases of zeolites Sigma-2 and Ferrierite 28
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 modeling the fluorescence of DMABN in polar environments 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
Integrated experimental and theoretical approach for the structural characterization of Hg2+ aqueous solutions 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
Implementation and validation of DFT-D for molecular vibrations and dynamics: the benzene dimer as a case study 26
Accurate and feasible computations of structural and magnetic properties of large free radicals: the PBE0/N07D model 25
Extension of the AMBER Force-Field for the Study of Nitroxide Systems 25
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 25
General approach to compute vibrationally resolved one-photon electronic spectra 25
VIBRATIONALLY RESOLVED LINEAR AND NONLINEAR ELECTRONIC CIRCULAR DICHROISM SPECTRA 24
Density functional study of the SnO2 surface and subsurface sites 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
A discrete/continuum QM/MM/MD study of the triplet state of acetone in aqueous solution 23
Development and validation of the B3LYP/N07D computational model for structural parameter and magnetic tensors of large free radicals 23
Structure and ESR features of a radiation-induced radical in a-glycine crystals 22
Quantum dynamics of ultrafast photoinduced processes in biological molecules 21
Phototransformation of the drug trazodone in aqueous solution 21
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 2.568
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Categoria #
all - tutte 8.783
article - articoli 7.126
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 232
Totale 16.141
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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
2025/20261.364 83 158 128 221 317 27 176 66 50 94 31 13
2026/202747 47 0 0 0 0 0 0 0 0 0 0 0
Totale 2.568