BARONE, Vincenzo
 Distribuzione geografica
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Continente #
NA - Nord America 37.008
EU - Europa 35.361
AS - Asia 10.129
SA - Sud America 1.041
Continente sconosciuto - Info sul continente non disponibili 134
AF - Africa 87
OC - Oceania 41
Totale 83.801
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Nazione #
US - Stati Uniti d'America 36.832
IT - Italia 10.004
SE - Svezia 6.071
IE - Irlanda 5.616
RU - Federazione Russa 4.092
SG - Singapore 3.509
TR - Turchia 3.012
CN - Cina 2.643
UA - Ucraina 2.628
DE - Germania 2.418
GB - Regno Unito 1.522
BR - Brasile 935
CH - Svizzera 869
FI - Finlandia 869
NL - Olanda 278
AT - Austria 266
VN - Vietnam 236
BE - Belgio 199
FR - Francia 198
CA - Canada 140
EU - Europa 125
JP - Giappone 118
ID - Indonesia 108
HK - Hong Kong 74
IN - India 66
IL - Israele 57
IR - Iran 52
PK - Pakistan 47
ES - Italia 46
PT - Portogallo 38
AR - Argentina 30
AU - Australia 30
KR - Corea 30
PL - Polonia 29
RO - Romania 25
IQ - Iraq 24
MA - Marocco 23
NO - Norvegia 21
BG - Bulgaria 19
CL - Cile 19
EC - Ecuador 18
UZ - Uzbekistan 18
CZ - Repubblica Ceca 17
ZA - Sudafrica 17
DK - Danimarca 15
AE - Emirati Arabi Uniti 14
BD - Bangladesh 14
EG - Egitto 14
GR - Grecia 14
HU - Ungheria 13
LT - Lituania 12
MX - Messico 12
VE - Venezuela 12
MD - Moldavia 11
NZ - Nuova Zelanda 11
PH - Filippine 10
TN - Tunisia 10
TW - Taiwan 10
AL - Albania 9
AZ - Azerbaigian 9
HR - Croazia 9
JO - Giordania 9
SK - Slovacchia (Repubblica Slovacca) 9
PE - Perù 8
RS - Serbia 8
SA - Arabia Saudita 8
LU - Lussemburgo 7
PA - Panama 7
A2 - ???statistics.table.value.countryCode.A2??? 6
CO - Colombia 6
EE - Estonia 6
KE - Kenya 6
MY - Malesia 6
UY - Uruguay 6
DZ - Algeria 5
LB - Libano 5
MK - Macedonia 5
PY - Paraguay 5
CR - Costa Rica 4
KW - Kuwait 4
KZ - Kazakistan 4
LK - Sri Lanka 4
LV - Lettonia 4
NG - Nigeria 4
OM - Oman 4
AD - Andorra 3
AM - Armenia 3
BN - Brunei Darussalam 3
JM - Giamaica 3
KG - Kirghizistan 3
NP - Nepal 3
SY - Repubblica araba siriana 3
TH - Thailandia 3
BH - Bahrain 2
BO - Bolivia 2
BS - Bahamas 2
BT - Bhutan 2
CY - Cipro 2
DO - Repubblica Dominicana 2
GE - Georgia 2
Totale 83.765
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Città #
Pisa 6.638
Jacksonville 5.996
Chandler 5.877
Dublin 5.612
Boardman 3.835
Ashburn 2.457
Izmir 2.253
Wilmington 2.241
Singapore 1.489
Moscow 1.445
Ann Arbor 1.275
Boston 1.269
Millbury 1.252
New York 822
San Mateo 809
Düsseldorf 772
Bern 759
Istanbul 729
Lawrence 664
Ogden 573
Mestre 527
The Dalles 504
Scuola 483
Seattle 476
San Paolo di Civitate 381
Woodbridge 366
Washington 341
Beijing 332
Milan 328
Princeton 319
Bremen 276
Saint Petersburg 258
Vienna 255
Dearborn 239
Dong Ket 230
Guangzhou 215
Amsterdam 214
Brussels 189
Helsinki 164
Shanghai 144
Santa Clara 141
Los Angeles 140
Fairfield 138
Chicago 137
Council Bluffs 122
Voghera 120
Wuhan 109
Jakarta 107
Nanjing 99
Norwalk 97
Hefei 90
Kunming 89
Toronto 86
Las Vegas 73
Tokyo 72
Andover 71
Rome 71
Houston 69
Padova 69
Zurich 67
Berlin 66
Hong Kong 64
São Paulo 63
Jiaxing 62
London 57
Edinburgh 53
Verona 51
Jinan 50
Ravenna 49
Redmond 49
Holon 48
Nanchang 46
San Diego 46
Jinhua 45
Frankfurt am Main 44
Florence 43
San Giuliano Terme 41
Shenzhen 41
Cambridge 39
Hanover 39
Bologna 38
North Bergen 38
Wuxi 38
Yiwu 32
Hangzhou 31
Livorno 31
Stockholm 30
Bientina 29
Munich 29
Naples 29
Auburn Hills 27
Cesano Boscone 27
Lausanne 27
Coimbra 26
Nuremberg 25
Paris 25
Brasília 23
Merced 23
Seoul 23
Rio de Janeiro 22
Totale 56.544
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Nome #
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 1.055
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 447
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 319
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 197
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 186
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 184
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 182
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 181
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 178
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 170
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 170
General formulation of vibronic spectroscopy in internal coordinates 164
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 163
Virtual reality tools for advanced modeling 163
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 160
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 159
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 159
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 159
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 158
PCILINDO: the PCILO Method at the INDO Level 157
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 156
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 155
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 154
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 153
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 153
Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153 152
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 152
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 152
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 151
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 151
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 150
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 150
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 149
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 149
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 148
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 147
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 147
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 146
Magneto-Structural Relationships for Radical Cation and Neutral Pyridinophane Structures with Intrabridgehead Nitrogen Atoms. An Integrated Experimental and Quantum Mechanical Study 143
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes 142
Accurate ground and excited state studies for molecular systems of biological interest. 141
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? 141
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 141
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 141
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 139
A mean field approach for molecular simulations of fluid systems 139
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 139
Dual fluorescence through Kasha's rule breaking: an unconventional photomechanism for intracellular probe design 139
Theoretical modeling of open-shell molecules in solution: a QM/MM molecular dynamics approach 138
Vapochromic behavior of polycarbonate films doped with a luminescent molecular rotor 138
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 138
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 138
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 137
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 137
Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions 136
Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle 136
Antitumor agents. 2. Synthesis, structure-activity relationships and biological evaluation of substituted 5H-pyridophenoxazin-5-ones with potent antiproliferative activity 135
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 135
Vibrational analysis of XAFS thermal factors by ab-initio molecular dynamics. The Zn2+ aqueous solution as case study 134
A Mean Field Approach for Molecular Simulations of Liquids and Solutions 134
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 134
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 134
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach 134
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 132
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 132
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 132
Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods 132
Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model 131
??? Computational of Spectroscopic Parameters of Biological Molecules 131
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 131
Evidences of long lived cages in functionalized polymers: Effects on chromophore dynamic and spectroscopic properties 131
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 131
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 131
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 131
The catecholic antioxidant piceatannol is an effective nitrosation inhibitor via an unusual double bond nitration 131
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 131
Linear response theory and electronic transition energies for a fully polarizable QM/Classical Hamiltonian 130
Towards the SMART workflow system for computational spectroscopy 130
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach 130
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 130
A density functional study of thorium tetrahalides 129
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion 129
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data 129
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems 129
Colourless p-phenylene-spaced bis-azoles for luminescent concentrators 129
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project 129
Accuracy and Reliability in the Simulation of Vibrational Spectra: A Comprehensive Benchmark of Energies and Intensities Issuing From Generalized Vibrational Perturbation Theory to Second Order (GVPT2) 129
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 129
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method. Analytic second derivatives and benchmark studies 128
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 128
A fully automated implementation of VPT2 infrared intensities 127
Synthesis and Optical Properties of Imidazole-Based Fluorophores having High Quantum Yields 127
Correct Modeling of Cisplatin: a Paradigmatic Case 127
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 127
Absorption and Emission Spectra of a Flexible Dye in Solution: A Computational Time-Dependent Approach 126
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations 126
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 126
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies 125
Conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions 125
Models of Aged Magnesium–Silicate–Hydrate Cements Based on the Lizardite and Talc Crystals: A Periodic DFT-GIPAW Investigation 125
Totale 15.645
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Categoria #
all - tutte 405.240
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 405.240
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20201.041 0 0 0 0 0 0 0 0 0 128 881 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
2024/202515.532 954 309 1.106 1.742 3.415 359 737 1.279 4.833 798 0 0
Totale 84.951