BARONE, Vincenzo
 Distribuzione geografica
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Continente #
NA - Nord America 54.591
EU - Europa 37.051
AS - Asia 28.139
SA - Sud America 3.425
AF - Africa 365
Continente sconosciuto - Info sul continente non disponibili 138
OC - Oceania 52
Totale 123.761
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Nazione #
US - Stati Uniti d'America 53.926
IT - Italia 10.189
CN - Cina 8.565
SG - Singapore 7.834
SE - Svezia 6.172
IE - Irlanda 5.627
KR - Corea 5.142
RU - Federazione Russa 4.138
TR - Turchia 3.103
BR - Brasile 3.054
UA - Ucraina 2.651
DE - Germania 2.646
GB - Regno Unito 1.868
HK - Hong Kong 1.527
FI - Finlandia 972
CH - Svizzera 874
VN - Vietnam 556
CA - Canada 392
NL - Olanda 345
FR - Francia 330
AT - Austria 289
IN - India 257
JP - Giappone 237
BE - Belgio 209
PL - Polonia 196
MX - Messico 160
ID - Indonesia 152
AR - Argentina 143
ES - Italia 143
EU - Europa 125
BD - Bangladesh 116
ZA - Sudafrica 116
IQ - Iraq 80
PK - Pakistan 77
IL - Israele 76
EC - Ecuador 63
IR - Iran 61
LT - Lituania 59
MA - Marocco 55
AE - Emirati Arabi Uniti 43
PT - Portogallo 39
SA - Arabia Saudita 38
VE - Venezuela 36
UZ - Uzbekistan 35
AU - Australia 34
CL - Cile 31
CO - Colombia 31
RO - Romania 31
KE - Kenya 30
CZ - Repubblica Ceca 27
BG - Bulgaria 25
EG - Egitto 25
NO - Norvegia 25
PH - Filippine 24
DK - Danimarca 23
JO - Giordania 23
PE - Perù 23
MY - Malesia 22
AL - Albania 21
TN - Tunisia 20
AZ - Azerbaigian 19
RS - Serbia 18
DZ - Algeria 17
HU - Ungheria 17
GR - Grecia 16
LB - Libano 16
MD - Moldavia 16
UY - Uruguay 16
PY - Paraguay 15
JM - Giamaica 14
KG - Kirghizistan 14
PA - Panama 14
TT - Trinidad e Tobago 14
NP - Nepal 13
NZ - Nuova Zelanda 13
TW - Taiwan 13
CR - Costa Rica 12
BY - Bielorussia 11
HR - Croazia 11
KZ - Kazakistan 11
LU - Lussemburgo 11
SK - Slovacchia (Repubblica Slovacca) 11
HN - Honduras 10
DO - Repubblica Dominicana 9
ET - Etiopia 9
BH - Bahrain 8
LV - Lettonia 8
OM - Oman 8
BO - Bolivia 7
EE - Estonia 7
ML - Mali 7
PS - Palestinian Territory 7
A2 - ???statistics.table.value.countryCode.A2??? 6
AM - Armenia 6
AO - Angola 6
BS - Bahamas 6
GT - Guatemala 6
MK - Macedonia 6
NG - Nigeria 6
SY - Repubblica araba siriana 6
Totale 123.571
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Città #
Dallas 8.939
Pisa 6.646
Jacksonville 6.003
Chandler 5.878
Dublin 5.619
Seoul 5.131
Ashburn 4.646
Boardman 3.866
Singapore 3.547
Wilmington 2.262
Izmir 2.254
Hefei 1.864
Hong Kong 1.510
Moscow 1.447
Boston 1.344
Ann Arbor 1.275
Millbury 1.252
New York 1.120
Beijing 1.081
Kent 885
San Mateo 809
Düsseldorf 773
Bern 759
Los Angeles 759
Istanbul 736
Lawrence 664
The Dalles 657
Ogden 573
Mestre 527
Seattle 502
Scuola 483
Chicago 465
San Paolo di Civitate 381
Woodbridge 366
Washington 351
Milan 341
Princeton 319
Santa Clara 296
São Paulo 278
Bremen 276
Guangzhou 272
Vienna 270
Buffalo 258
Saint Petersburg 258
Amsterdam 251
Dearborn 239
Dong Ket 230
Shanghai 205
Munich 201
Brussels 193
Tokyo 191
Helsinki 173
Warsaw 164
Council Bluffs 149
Brooklyn 139
Fairfield 139
Montreal 138
Ho Chi Minh City 135
London 128
Columbus 127
Stockholm 127
Toronto 127
Wuhan 125
Houston 124
Jakarta 123
Voghera 120
Salt Lake City 117
Denver 108
San Francisco 103
Nanjing 102
Kunming 98
Norwalk 97
Poplar 87
Rome 84
Chennai 83
Frankfurt am Main 82
Turku 82
Las Vegas 81
Johannesburg 80
Phoenix 80
Atlanta 79
Hangzhou 78
Orem 76
Rio de Janeiro 75
Andover 71
Padova 70
Belo Horizonte 69
Jiaxing 67
Zurich 67
Berlin 66
Elk Grove Village 63
Tampa 61
Zhengzhou 60
Jinan 59
Mexico City 59
Ankara 57
Hanoi 54
Manchester 54
Brasília 53
Edinburgh 53
Totale 84.065
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Nome #
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 3.750
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 478
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 389
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 327
From Norbornadiene to Norcamphor and Camphor : Reduced-Cost Semiexperimental Structural Refinement from Limited Isotopologue Data 305
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 302
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 284
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 279
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 275
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 271
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 263
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 261
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 252
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 252
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 250
A fully automated implementation of VPT2 infrared intensities 249
A diabatic electronic state system to describe the internal conversion of azulene 248
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 248
A density functional study of thorium tetrahalides 247
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 246
??? Computational of Spectroscopic Parameters of Biological Molecules 243
A computational protocol to probe the role of solvation effects on the reduction potential of azurine mutants 240
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 237
A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond 237
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 234
[4 pi+2 pi] cycloadditions of N-acyl-thioformamides 233
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 233
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 232
General formulation of vibronic spectroscopy in internal coordinates 232
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 232
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 231
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 231
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 229
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 229
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 228
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 226
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 226
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 217
Virtual reality tools for advanced modeling 217
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 216
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 214
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach 214
: Oxidative chemistry of 2-nitro and 4-nitroestradiol: Dichotomous behavior of radical intermediates and novel potential routes for oxyfunctionalization and B-ring fission of steroidal scaffolds 212
PCILINDO: the PCILO Method at the INDO Level 212
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 211
Towards the SMART workflow system for computational spectroscopy 210
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 208
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 208
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 207
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 207
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 206
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 206
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) 206
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 205
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 204
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 203
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 203
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 203
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 202
Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective 201
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 201
A twist on the reaction of the CN radical with methylamine in the interstellar medium: New hints from a state-of-the-art quantum-chemical study 200
A Mean Field Approach for Molecular Simulations of Liquids and Solutions 199
A mean field approach for molecular simulations of fluid systems 199
Accurate ground and excited state studies for molecular systems of biological interest. 199
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 199
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 199
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 198
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 198
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 197
Gliding on Ice in search of accurate and cost-effective computational methods for Astrochemistry on Grains: the puzzling case of the HCN isomerization 196
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes 196
Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153 195
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project 195
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 194
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 194
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 194
Vapochromic behavior of polycarbonate films doped with a luminescent molecular rotor 193
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 193
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 192
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 192
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 191
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 191
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 189
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? 189
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation 189
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 188
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 188
Combined X-ray absorption spectroscopy and Molecular Dynamics study of the Hg2+ aqua ion 187
Colourless p-phenylene-spaced bis-azoles for luminescent concentrators 187
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures 187
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 187
Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach 187
Exploring the Maze of C2N2H5 Radicals and Their Fragments in the Interstellar Medium with the Help of Quantum-Chemical Computations 186
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems 185
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 185
Neutral copper(I) complexes featuring phosphinesulfonate chelates 184
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations 182
Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle 182
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects 182
Totale 25.590
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Categoria #
all - tutte 548.630
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 548.630
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20216.559 0 0 0 0 0 779 645 858 764 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
2024/202525.103 954 309 1.106 1.742 3.415 359 737 1.279 4.833 1.277 4.142 4.950
2025/202630.425 3.945 5.517 10.563 6.089 3.936 375 0 0 0 0 0 0
Totale 124.947