BARONE, Vincenzo
 Distribuzione geografica
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Continente #
NA - Nord America 80.496
EU - Europa 48.239
AS - Asia 36.583
SA - Sud America 5.419
Continente sconosciuto - Info sul continente non disponibili 1.340
AF - Africa 987
OC - Oceania 70
Totale 173.134
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Nazione #
US - Stati Uniti d'America 78.866
IT - Italia 13.185
RU - Federazione Russa 10.483
SG - Singapore 9.513
CN - Cina 9.283
SE - Svezia 6.160
IE - Irlanda 5.609
KR - Corea 5.139
BR - Brasile 4.059
TR - Turchia 3.244
DE - Germania 2.774
UA - Ucraina 2.676
VN - Vietnam 2.414
HK - Hong Kong 2.301
GB - Regno Unito 2.155
FR - Francia 1.234
FI - Finlandia 1.061
IN - India 912
CH - Svizzera 882
CA - Canada 826
BD - Bangladesh 825
AR - Argentina 426
IQ - Iraq 418
NL - Olanda 408
JP - Giappone 337
ID - Indonesia 330
MX - Messico 306
PK - Pakistan 299
AT - Austria 296
CO - Colombia 242
ES - Italia 240
PH - Filippine 238
PL - Polonia 238
ZA - Sudafrica 235
BE - Belgio 216
SA - Arabia Saudita 196
EC - Ecuador 193
VE - Venezuela 175
MA - Marocco 160
MY - Malesia 138
EU - Europa 124
CL - Cile 115
UZ - Uzbekistan 115
TN - Tunisia 108
LT - Lituania 106
JO - Giordania 101
IL - Israele 98
KE - Kenya 90
CR - Costa Rica 83
EG - Egitto 82
AE - Emirati Arabi Uniti 79
JM - Giamaica 69
IR - Iran 68
PE - Perù 57
PY - Paraguay 57
AZ - Azerbaigian 56
NP - Nepal 55
DZ - Algeria 53
PT - Portogallo 53
TT - Trinidad e Tobago 52
OM - Oman 51
ET - Etiopia 48
KZ - Kazakistan 48
AU - Australia 47
HN - Honduras 47
TH - Thailandia 47
LB - Libano 44
UY - Uruguay 44
AL - Albania 41
RO - Romania 40
BG - Bulgaria 39
GT - Guatemala 39
NI - Nicaragua 37
RS - Serbia 37
BO - Bolivia 35
PS - Palestinian Territory 33
CZ - Repubblica Ceca 32
PA - Panama 30
DK - Danimarca 28
SV - El Salvador 28
KG - Kirghizistan 27
NO - Norvegia 27
BY - Bielorussia 26
HU - Ungheria 26
PR - Porto Rico 24
BH - Bahrain 23
EE - Estonia 23
MD - Moldavia 22
GR - Grecia 21
DO - Repubblica Dominicana 20
SY - Repubblica araba siriana 20
NG - Nigeria 19
SN - Senegal 19
LY - Libia 17
NZ - Nuova Zelanda 17
QA - Qatar 17
HR - Croazia 16
BS - Bahamas 15
LU - Lussemburgo 15
SK - Slovacchia (Repubblica Slovacca) 15
Totale 171.517
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Città #
Dallas 8.970
Ashburn 8.309
Council Bluffs 7.375
Pisa 6.639
San Jose 6.099
Jacksonville 5.979
Chandler 5.841
Dublin 5.596
Seoul 5.120
Singapore 4.821
Boardman 3.848
Moscow 2.869
Wilmington 2.262
Izmir 2.244
Hong Kong 2.117
Milan 2.000
Hefei 1.854
New York 1.567
Boston 1.355
Los Angeles 1.300
Ann Arbor 1.272
Millbury 1.244
Beijing 1.233
Clifton 1.063
The Dalles 935
Kent 881
San Mateo 806
Lauterbourg 776
Düsseldorf 775
Istanbul 762
Bern 759
Ho Chi Minh City 717
Lawrence 662
Chicago 641
Ogden 571
Santa Clara 537
Hanoi 532
Mestre 520
Seattle 514
Scuola 482
São Paulo 410
Washington 402
San Paolo di Civitate 381
Woodbridge 367
Phoenix 318
Princeton 317
Buffalo 313
Amsterdam 298
North Bergen 281
Bremen 274
Guangzhou 274
Vienna 274
Orem 272
Helsinki 262
Tokyo 261
Saint Petersburg 258
Dearborn 240
Rome 231
Dong Ket 230
Toronto 221
Shanghai 219
Munich 204
Figino 202
Brussels 197
Montreal 194
Warsaw 194
Norwalk 192
Brooklyn 184
Baghdad 183
Chennai 166
Houston 166
Frankfurt am Main 163
London 163
Denver 151
Atlanta 148
Columbus 145
Jakarta 145
Fairfield 141
Stockholm 131
San Antonio 129
Wuhan 128
Parkland 126
Salt Lake City 126
San Francisco 124
Da Nang 122
Voghera 120
Keene 117
Johannesburg 112
Las Vegas 106
Florence 105
Manchester 104
Nanjing 102
Poplar 102
Rio de Janeiro 100
Tashkent 100
Kunming 99
Lahore 95
Mexico City 94
Naples 92
Amman 86
Totale 113.308
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Nome #
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 3.944
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 1.076
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 528
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 452
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 436
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 401
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 383
From Norbornadiene to Norcamphor and Camphor : Reduced-Cost Semiexperimental Structural Refinement from Limited Isotopologue Data 376
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 375
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 373
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 358
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 348
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 347
A mean field approach for molecular simulations of fluid systems 344
General formulation of vibronic spectroscopy in internal coordinates 344
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 342
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 341
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 340
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 339
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 338
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 338
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 330
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) 330
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation 328
A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond 327
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 326
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 325
??? Computational of Spectroscopic Parameters of Biological Molecules 323
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 323
A computational protocol to probe the role of solvation effects on the reduction potential of azurine mutants 323
Erratum: The Italian national project of astrobiology-life in space-origin, presence, persistence of life in space, from molecules to extremophiles (Astrobiology (2020) 20:5 (580-582) DOI: 10.1089/ast.2020.2247) 323
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 322
A diabatic electronic state system to describe the internal conversion of azulene 321
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 320
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 320
Molecular synthons for accurate structural determinations: The equilibrium geometry of 1-chloro-1-fluoroethene 316
A density functional study of thorium tetrahalides 311
A fully automated implementation of VPT2 infrared intensities 311
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 309
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 308
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 306
The catecholic antioxidant piceatannol is an effective nitrosation inhibitor via an unusual double bond nitration 306
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 305
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 304
The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid 303
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 303
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 302
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 301
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 299
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 299
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures 299
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 297
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study 297
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 296
Virtual reality tools for advanced modeling 296
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 295
Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy 295
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 293
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 293
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 292
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 291
[4 pi+2 pi] cycloadditions of N-acyl-thioformamides 290
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach 290
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 288
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 288
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 287
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 286
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 285
Fully anharmonic IR and Raman spectra of medium-size molecular systems: Accuracy and interpretation 284
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 284
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 282
Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry 282
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 281
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 280
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 279
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 278
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 278
Gliding on Ice in search of accurate and cost-effective computational methods for Astrochemistry on Grains: the puzzling case of the HCN isomerization 276
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 274
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 272
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 271
Towards the SMART workflow system for computational spectroscopy 271
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 270
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm 270
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 269
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 268
Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective 268
Neutral copper(I) complexes featuring phosphinesulfonate chelates 267
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 267
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project 267
Accuracy meets interpretability for computational spectroscopy by means of hybrid and double-hybrid functionals 267
Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153 265
A generalized polarizable continuum model for the study of heterogeneous dielectric environments 265
Accurate ground and excited state studies for molecular systems of biological interest. 265
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 265
PCILINDO: the PCILO Method at the INDO Level 265
: 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 264
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 264
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 263
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate) 263
Totale 35.189
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Categoria #
all - tutte 684.472
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 684.472
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20225.757 0 0 0 346 455 79 137 577 439 474 195 3.055
2022/202327.106 1.907 1.791 1.070 1.890 1.697 2.372 35 6.954 8.236 168 449 537
2023/20248.572 1.418 272 900 206 457 1.932 431 491 889 303 78 1.195
2024/202524.946 951 307 1.099 1.727 3.384 350 736 1.274 4.804 1.269 4.118 4.927
2025/202663.180 3.913 5.498 10.506 6.056 3.925 2.556 8.953 3.791 8.516 4.198 2.347 2.921
2026/202715.951 3.055 1.752 2.666 8.478 0 0 0 0 0 0 0 0
Totale 173.134