BARONE, Vincenzo
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 32.802
EU - Europa 30.378
AS - Asia 3.759
Continente sconosciuto - Info sul continente non disponibili 132
SA - Sud America 44
OC - Oceania 34
AF - Africa 24
Totale 67.173
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 32.688
IT - Italia 9.017
SE - Svezia 6.070
IE - Irlanda 5.623
UA - Ucraina 2.611
DE - Germania 2.324
TR - Turchia 2.269
GB - Regno Unito 1.481
CH - Svizzera 866
CN - Cina 860
FI - Finlandia 836
RU - Federazione Russa 602
AT - Austria 247
VN - Vietnam 230
BE - Belgio 182
FR - Francia 179
EU - Europa 125
JP - Giappone 109
CA - Canada 105
NL - Olanda 59
IL - Israele 55
ES - Italia 43
IR - Iran 42
IN - India 41
PT - Portogallo 38
KR - Corea 29
AU - Australia 25
PL - Polonia 25
SG - Singapore 24
PK - Pakistan 23
RO - Romania 23
BR - Brasile 21
BG - Bulgaria 18
NO - Norvegia 17
CL - Cile 15
DK - Danimarca 13
GR - Grecia 13
HU - Ungheria 13
AE - Emirati Arabi Uniti 10
EG - Egitto 10
MD - Moldavia 10
HR - Croazia 9
NZ - Nuova Zelanda 9
HK - Hong Kong 8
PH - Filippine 8
SK - Slovacchia (Repubblica Slovacca) 8
AL - Albania 7
LU - Lussemburgo 7
RS - Serbia 7
A2 - ???statistics.table.value.countryCode.A2??? 6
CZ - Repubblica Ceca 6
EE - Estonia 6
MY - Malesia 6
SA - Arabia Saudita 6
TW - Taiwan 6
MA - Marocco 5
LK - Sri Lanka 4
AD - Andorra 3
AM - Armenia 3
AR - Argentina 3
KZ - Kazakistan 3
MK - Macedonia 3
MX - Messico 3
NG - Nigeria 3
PE - Perù 3
TH - Thailandia 3
ZA - Sudafrica 3
AZ - Azerbaigian 2
BD - Bangladesh 2
BN - Brunei Darussalam 2
BS - Bahamas 2
BT - Bhutan 2
CY - Cipro 2
ID - Indonesia 2
IM - Isola di Man 2
LI - Liechtenstein 2
LT - Lituania 2
PA - Panama 2
UZ - Uzbekistan 2
CR - Costa Rica 1
ET - Etiopia 1
GH - Ghana 1
IQ - Iraq 1
IS - Islanda 1
KE - Kenya 1
KH - Cambogia 1
KW - Kuwait 1
LB - Libano 1
LV - Lettonia 1
MC - Monaco 1
ME - Montenegro 1
MN - Mongolia 1
MT - Malta 1
OM - Oman 1
PR - Porto Rico 1
PY - Paraguay 1
SI - Slovenia 1
SX - ???statistics.table.value.countryCode.SX??? 1
UY - Uruguay 1
Totale 67.173
Salva come PNG Salva come JPEG
Città #
Jacksonville 5.996
Pisa 5.925
Chandler 5.900
Dublin 5.620
Ashburn 2.432
Izmir 2.253
Wilmington 2.241
Ann Arbor 1.275
Boston 1.269
Millbury 1.252
Boardman 1.111
New York 827
San Mateo 809
Düsseldorf 766
Bern 759
Lawrence 667
Ogden 575
Mestre 527
Scuola 483
Seattle 476
San Paolo di Civitate 381
Woodbridge 366
Washington 342
Princeton 319
Milan 284
Bremen 278
Saint Petersburg 258
Vienna 247
Dearborn 239
Dong Ket 230
Beijing 225
Brussels 175
Fairfield 138
Helsinki 138
Chicago 131
Voghera 120
Norwalk 97
Nanjing 94
Hefei 89
Kunming 86
Toronto 74
Las Vegas 73
Andover 71
Houston 69
Zurich 66
Padova 65
Tokyo 65
Berlin 63
Rome 60
Edinburgh 53
Ravenna 49
Redmond 49
Verona 49
Holon 48
San Diego 46
Jinan 45
Los Angeles 43
Nanchang 43
San Giuliano Terme 42
Cambridge 39
Florence 39
Hanover 37
Bologna 36
Guangzhou 36
London 35
Bientina 29
Auburn Hills 27
Lausanne 27
Coimbra 26
Amsterdam 25
Paris 25
Frankfurt am Main 23
Seoul 23
Stockholm 23
Moscow 22
Merced 21
Madrid 20
San Francisco 20
Tappahannock 20
Cusano Milanino 19
Santa Maria a Monte 17
Shenyang 17
Sofia 17
Naples 16
Napoli 16
Leawood 15
Livorno 15
São Paulo 14
Warsaw 14
Budapest 13
Cedar Knolls 13
Falls Church 13
Fuzhou 13
Hebei 13
Zhengzhou 13
Scandicci 12
Miami 11
Rende 11
Trento 11
Chengdu 10
Totale 47.319
Salva come PNG Salva come JPEG
Nome #
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 432
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 258
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 163
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 162
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 150
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 144
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 143
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 140
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 138
General formulation of vibronic spectroscopy in internal coordinates 137
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 137
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 134
Virtual reality tools for advanced modeling 134
PCILINDO: the PCILO Method at the INDO Level 133
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 131
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 131
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 131
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 130
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 128
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 128
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 128
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 128
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 127
Magneto-Structural Relationships for Radical Cation and Neutral Pyridinophane Structures with Intrabridgehead Nitrogen Atoms. An Integrated Experimental and Quantum Mechanical Study 126
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 126
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 125
Theoretical modeling of open-shell molecules in solution: a QM/MM molecular dynamics approach 124
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 124
Vapochromic behavior of polycarbonate films doped with a luminescent molecular rotor 124
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 123
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 122
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 121
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 121
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 120
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 120
Dual fluorescence through Kasha's rule breaking: an unconventional photomechanism for intracellular probe design 120
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 119
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 118
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? 118
A mean field approach for molecular simulations of fluid systems 117
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes 117
Vibrational analysis of XAFS thermal factors by ab-initio molecular dynamics. The Zn2+ aqueous solution as case study 116
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 116
Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model 115
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 115
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 115
Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle 115
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 115
Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods 115
Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields 113
Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions 112
Conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions 110
Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties 110
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data 110
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach 110
A Mean Field Approach for Molecular Simulations of Liquids and Solutions 109
??? Computational of Spectroscopic Parameters of Biological Molecules 109
Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach 109
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems 109
Colourless p-phenylene-spaced bis-azoles for luminescent concentrators 109
Theoretical study of the conformational and optical properties of a fluorescent sensor grafted on apolar polymer structures 108
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies 108
Accurate ground and excited state studies for molecular systems of biological interest. 108
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 108
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 108
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 108
Linear response theory and electronic transition energies for a fully polarizable QM/Classical Hamiltonian 107
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 106
GEOMETRICAL RELAXATION OF MODEL METALLIC CLUSTERS 106
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 106
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 106
Models of Aged Magnesium–Silicate–Hydrate Cements Based on the Lizardite and Talc Crystals: A Periodic DFT-GIPAW Investigation 106
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 106
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 106
A generalized polarizable continuum model for the study of heterogeneous dielectric environments 105
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 104
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 104
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 104
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 103
Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters 103
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 103
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion 103
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 103
Quantum mechanical computations and spectroscopy: From small rigid molecules in the gas phase to large flexible molecules in solution 102
Hydrogen-bonding between the hydrogen peroxide molecule and the hydroperoxy radical (H2O2-HO2): the global minimum 102
Vibrational analyses for CHFClBr and CDFClBr based on high level ab initio calculations 102
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model 102
Development and validation of reliable quantum mechanical approaches for the study of free radicals in solution 102
An integrated computational tool to model the broadening of absorption bands of flexible dyes in solution: cationic chromophores as test cases 102
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 101
THE MECHANISMS OF ELEMENTARY PHYSICOCHEMICAL PROCESSES - AN INTRODUCTORY REPORT 101
EFFECT OF DIFFERENT SHIELDING GROUPS ON THE POLY-ELECTROLYTE BEHAVIOR OF POLYAMINES 101
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies 101
CONFORMATIONAL-ANALYSIS OF POLYPROPYLENE CHAINS BOUND TO MODEL CATALYTIC SITES 101
In Silico Study of Molecular-Engineered Nanodevices: A Lockable Light-Driven Motor in Dichloromethane Solution 101
The effects of ferulic acid on β-amyloid fibrillar structures investigated through experimental and computational techniques 101
VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra 101
Solid State Photochemistry of Hydroxylated Naphthalenes on Minerals: Probing Polycyclic Aromatic Hydrocarbon Transformation Pathways under Astrochemically-Relevant Conditions 101
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 101
LINEAR OLIGOPEPTIDES .177. STRUCTURAL VERSATILITY OF PEPTIDES FROM C-ALPHA,ALPHA-DIALKYLATED GLYCINES - A CONFORMATIONAL ENERGY COMPUTATION AND X-RAY-DIFFRACTION STUDY OF HOMOPEPTIDES FROM 1-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID 100
Totale 12.035
Salva come PNG Salva come JPEG
Categoria #
all - tutte 273.169
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 273.169
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/20192.364 0 0 0 0 0 0 0 0 0 0 89 2.275
2019/20206.111 803 729 73 44 809 228 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
2022/202327.342 1.921 1.804 1.075 1.908 1.717 2.394 35 7.016 8.309 172 451 540
2023/20247.384 1.424 274 909 208 462 1.956 432 491 896 311 21 0
Totale 68.272