BARONE, Vincenzo
 Distribuzione geografica
Continente #
NA - Nord America 36.201
EU - Europa 31.195
AS - Asia 7.956
Continente sconosciuto - Info sul continente non disponibili 132
SA - Sud America 76
OC - Oceania 39
AF - Africa 25
Totale 75.624
Nazione #
US - Stati Uniti d'America 36.053
IT - Italia 9.484
SE - Svezia 6.071
IE - Irlanda 5.616
TR - Turchia 2.995
UA - Ucraina 2.613
CN - Cina 2.467
DE - Germania 2.369
SG - Singapore 1.731
GB - Regno Unito 1.516
CH - Svizzera 867
FI - Finlandia 857
RU - Federazione Russa 610
AT - Austria 247
NL - Olanda 246
VN - Vietnam 231
BE - Belgio 195
FR - Francia 187
CA - Canada 139
EU - Europa 125
JP - Giappone 114
ID - Indonesia 107
IL - Israele 56
IN - India 56
BR - Brasile 48
IR - Iran 48
ES - Italia 45
PT - Portogallo 38
AU - Australia 30
KR - Corea 30
PL - Polonia 29
PK - Pakistan 25
RO - Romania 24
BG - Bulgaria 18
CZ - Repubblica Ceca 17
NO - Norvegia 17
CL - Cile 15
DK - Danimarca 15
HK - Hong Kong 15
GR - Grecia 14
HU - Ungheria 13
LT - Lituania 12
AE - Emirati Arabi Uniti 11
EG - Egitto 11
MD - Moldavia 11
HR - Croazia 9
NZ - Nuova Zelanda 9
PH - Filippine 9
SK - Slovacchia (Repubblica Slovacca) 9
TW - Taiwan 8
AL - Albania 7
LU - Lussemburgo 7
RS - Serbia 7
SA - Arabia Saudita 7
A2 - ???statistics.table.value.countryCode.A2??? 6
EE - Estonia 6
MY - Malesia 6
AZ - Azerbaigian 5
MA - Marocco 5
PE - Perù 5
LK - Sri Lanka 4
LV - Lettonia 4
AD - Andorra 3
AR - Argentina 3
IQ - Iraq 3
KZ - Kazakistan 3
MK - Macedonia 3
MX - Messico 3
NG - Nigeria 3
OM - Oman 3
TH - Thailandia 3
UZ - Uzbekistan 3
ZA - Sudafrica 3
AM - Armenia 2
BD - Bangladesh 2
BN - Brunei Darussalam 2
BS - Bahamas 2
BT - Bhutan 2
CY - Cipro 2
EC - Ecuador 2
IM - Isola di Man 2
LI - Liechtenstein 2
PA - Panama 2
CO - Colombia 1
CR - Costa Rica 1
ET - Etiopia 1
GH - Ghana 1
IS - Islanda 1
KE - Kenya 1
KH - Cambogia 1
KW - Kuwait 1
LA - Repubblica Popolare Democratica del Laos 1
LB - Libano 1
MC - Monaco 1
ME - Montenegro 1
MN - Mongolia 1
MT - Malta 1
PR - Porto Rico 1
PY - Paraguay 1
SI - Slovenia 1
Totale 75.621
Città #
Pisa 6.258
Jacksonville 5.996
Chandler 5.877
Dublin 5.612
Boardman 3.831
Ashburn 2.442
Izmir 2.253
Wilmington 2.241
Singapore 1.285
Ann Arbor 1.275
Boston 1.269
Millbury 1.252
New York 822
San Mateo 809
Düsseldorf 766
Bern 759
Istanbul 727
Lawrence 664
Ogden 573
Mestre 527
Scuola 483
Seattle 476
San Paolo di Civitate 381
Woodbridge 366
Washington 341
Beijing 326
Princeton 319
Milan 300
Bremen 276
Saint Petersburg 258
Vienna 247
Dearborn 239
Dong Ket 230
Amsterdam 208
Guangzhou 208
Brussels 187
Helsinki 156
Santa Clara 139
Fairfield 138
Los Angeles 134
Chicago 131
Shanghai 130
Voghera 120
Jakarta 107
Wuhan 107
Nanjing 99
Norwalk 97
Hefei 90
Kunming 87
Toronto 85
Las Vegas 72
Andover 71
Tokyo 70
Houston 69
Padova 68
Rome 68
Zurich 66
Berlin 65
Jiaxing 62
London 57
Edinburgh 53
Verona 51
Jinan 49
Ravenna 49
Redmond 49
Holon 48
San Diego 46
Jinhua 45
Florence 43
Nanchang 43
San Giuliano Terme 41
Cambridge 39
Hanover 39
Wuxi 38
Bologna 37
Frankfurt am Main 37
Shenzhen 37
Yiwu 32
Hangzhou 30
Stockholm 30
Bientina 29
Munich 29
Auburn Hills 27
Lausanne 27
Coimbra 26
Moscow 25
Paris 25
Naples 24
Merced 23
Seoul 23
Madrid 21
Ottawa 21
San Francisco 21
Fuzhou 20
Cusano Milanino 19
Tappahannock 19
Livorno 18
Shenyang 18
São Paulo 18
Santa Maria a Monte 17
Totale 53.657
Nome #
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 675
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 441
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 295
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 180
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 175
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 168
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 165
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 154
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 154
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 153
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 151
Virtual reality tools for advanced modeling 151
General formulation of vibronic spectroscopy in internal coordinates 148
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 148
PCILINDO: the PCILO Method at the INDO Level 148
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 147
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 144
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 143
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 143
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 142
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 141
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 141
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 140
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 140
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 140
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 139
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 138
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 138
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 137
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 137
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 136
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 135
Magneto-Structural Relationships for Radical Cation and Neutral Pyridinophane Structures with Intrabridgehead Nitrogen Atoms. An Integrated Experimental and Quantum Mechanical Study 134
Theoretical modeling of open-shell molecules in solution: a QM/MM molecular dynamics approach 134
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 133
A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects 133
Dual fluorescence through Kasha's rule breaking: an unconventional photomechanism for intracellular probe design 133
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 132
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? 132
Vapochromic behavior of polycarbonate films doped with a luminescent molecular rotor 132
Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions 131
A mean field approach for molecular simulations of fluid systems 128
Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle 128
Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model 127
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 127
Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods 127
Vibrational analysis of XAFS thermal factors by ab-initio molecular dynamics. The Zn2+ aqueous solution as case study 126
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 125
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes 125
Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153 124
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 124
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 123
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 123
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 123
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 123
??? Computational of Spectroscopic Parameters of Biological Molecules 122
Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties 122
Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields 122
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 122
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach 122
A Mean Field Approach for Molecular Simulations of Liquids and Solutions 121
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 120
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion 120
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 120
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data 120
Linear response theory and electronic transition energies for a fully polarizable QM/Classical Hamiltonian 120
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems 120
Colourless p-phenylene-spaced bis-azoles for luminescent concentrators 120
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies 119
A generalized polarizable continuum model for the study of heterogeneous dielectric environments 119
Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach 119
Conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions 118
Accurate ground and excited state studies for molecular systems of biological interest. 118
On the competition between weak O H⋯F and C H⋯F hydrogen bonds, in cooperation with C H⋯O contacts, in the difluoromethane – tert -butyl alcohol cluster 118
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 118
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 118
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 117
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies 117
Models of Aged Magnesium–Silicate–Hydrate Cements Based on the Lizardite and Talc Crystals: A Periodic DFT-GIPAW Investigation 117
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 116
A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies 116
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model 116
Solvent effects on the UV (n?p*) and NMR (17O) spectra of acetone in aqueous solution. Development and validation of a modified AMBER force field for an integrated MD/DFT/PCM approach 116
H-Abstraction from Dimethyl Sulfide in the Presence of an Excess of Hydroxyl Radicals. A Quantum Chemical Evaluation of Thermochemical and Kinetic Parameters Unveils an Alternative Pathway to Dimethyl Sulfoxide 116
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 116
Theoretical study of the conformational and optical properties of a fluorescent sensor grafted on apolar polymer structures 115
Structural and dynamical properties of the Hg2+ aqua ion: a molecular dynamics study 114
CONFORMATIONAL-ANALYSIS OF POLYPROPYLENE CHAINS BOUND TO MODEL CATALYTIC SITES 114
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 114
GEOMETRICAL RELAXATION OF MODEL METALLIC CLUSTERS 113
EFFECT OF DIFFERENT SHIELDING GROUPS ON THE POLY-ELECTROLYTE BEHAVIOR OF POLYAMINES 112
Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters 112
A density functional study of thorium tetrahalides 112
In Silico Study of Molecular-Engineered Nanodevices: A Lockable Light-Driven Motor in Dichloromethane Solution 112
Environmental and complexation effects on the structures and spectroscopic signatures of organic pigments relevant to cultural heritage: the case of alizarin and alizarin–Mg(ii)/Al(iii) complexes 112
Hydrogen-bonding between the hydrogen peroxide molecule and the hydroperoxy radical (H2O2-HO2): the global minimum 111
Vibrational analyses for CHFClBr and CDFClBr based on high level ab initio calculations 111
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 111
Solid State Photochemistry of Hydroxylated Naphthalenes on Minerals: Probing Polycyclic Aromatic Hydrocarbon Transformation Pathways under Astrochemically-Relevant Conditions 111
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 111
Totale 13.884
Categoria #
all - tutte 355.506
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 355.506


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20204.462 0 0 0 0 809 228 1.317 251 816 128 881 32
2020/202110.185 861 78 1.808 40 839 779 645 858 764 1.856 546 1.111
2021/20226.506 581 57 70 346 462 82 140 582 441 478 195 3.072
2022/202327.253 1.917 1.799 1.073 1.898 1.707 2.383 35 6.999 8.284 170 449 539
2023/20248.620 1.423 273 905 207 460 1.946 431 491 894 306 78 1.206
2024/20257.333 954 309 1.106 1.742 3.222 0 0 0 0 0 0 0
Totale 76.752