BARONE, Vincenzo
 Distribuzione geografica
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Continente #
NA - Nord America 67.705
EU - Europa 45.508
AS - Asia 36.291
SA - Sud America 5.192
AF - Africa 980
Continente sconosciuto - Info sul continente non disponibili 140
OC - Oceania 66
Totale 155.882
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Nazione #
US - Stati Uniti d'America 66.687
IT - Italia 10.568
RU - Federazione Russa 10.527
SG - Singapore 9.484
CN - Cina 9.248
SE - Svezia 6.182
IE - Irlanda 5.639
KR - Corea 5.160
BR - Brasile 3.952
TR - Turchia 3.261
DE - Germania 2.777
UA - Ucraina 2.686
VN - Vietnam 2.409
HK - Hong Kong 2.275
GB - Regno Unito 2.076
FR - Francia 1.228
FI - Finlandia 1.066
IN - India 906
CH - Svizzera 880
BD - Bangladesh 675
CA - Canada 515
IQ - Iraq 420
AR - Argentina 406
NL - Olanda 399
JP - Giappone 332
ID - Indonesia 320
PK - Pakistan 299
AT - Austria 295
MX - Messico 266
ZA - Sudafrica 236
PL - Polonia 225
BE - Belgio 216
ES - Italia 212
PH - Filippine 212
CO - Colombia 199
SA - Arabia Saudita 188
EC - Ecuador 166
MA - Marocco 162
VE - Venezuela 156
MY - Malesia 128
EU - Europa 125
UZ - Uzbekistan 115
CL - Cile 109
TN - Tunisia 106
JO - Giordania 102
IL - Israele 95
KE - Kenya 87
EG - Egitto 82
AE - Emirati Arabi Uniti 77
IR - Iran 68
LT - Lituania 68
PE - Perù 58
PY - Paraguay 57
AZ - Azerbaigian 56
DZ - Algeria 53
NP - Nepal 53
OM - Oman 52
ET - Etiopia 48
PT - Portogallo 47
AU - Australia 44
KZ - Kazakistan 44
TH - Thailandia 43
LB - Libano 42
CR - Costa Rica 41
UY - Uruguay 39
AL - Albania 38
BG - Bulgaria 37
JM - Giamaica 37
BO - Bolivia 36
RO - Romania 36
RS - Serbia 33
CZ - Repubblica Ceca 31
PS - Palestinian Territory 31
HU - Ungheria 26
KG - Kirghizistan 26
PA - Panama 26
BY - Bielorussia 25
NO - Norvegia 25
DK - Danimarca 24
BH - Bahrain 23
MD - Moldavia 22
GR - Grecia 20
SY - Repubblica araba siriana 20
DO - Repubblica Dominicana 19
SN - Senegal 19
TT - Trinidad e Tobago 19
NG - Nigeria 18
NI - Nicaragua 18
HN - Honduras 16
HR - Croazia 16
LY - Libia 16
NZ - Nuova Zelanda 16
QA - Qatar 15
TW - Taiwan 15
AO - Angola 14
LV - Lettonia 14
CI - Costa d'Avorio 13
GA - Gabon 13
GE - Georgia 13
KW - Kuwait 13
Totale 155.532
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Città #
Dallas 8.967
Ashburn 6.685
Pisa 6.646
Jacksonville 6.007
Chandler 5.879
Dublin 5.628
Seoul 5.140
San Jose 5.015
Singapore 4.805
Boardman 3.867
Council Bluffs 3.090
Moscow 2.879
Wilmington 2.263
Izmir 2.258
Hong Kong 2.092
Hefei 1.864
Boston 1.351
New York 1.280
Ann Arbor 1.275
Millbury 1.252
Los Angeles 1.214
Beijing 1.190
The Dalles 938
Kent 885
San Mateo 809
Lauterbourg 778
Düsseldorf 775
Istanbul 765
Bern 759
Ho Chi Minh City 717
Lawrence 664
Ogden 574
Hanoi 527
Mestre 527
Seattle 511
Chicago 503
Scuola 483
Santa Clara 433
Milan 430
San Paolo di Civitate 381
Woodbridge 368
São Paulo 356
Washington 356
Princeton 319
Amsterdam 294
Buffalo 282
Bremen 276
Guangzhou 274
Vienna 273
Orem 267
Helsinki 263
Tokyo 259
Saint Petersburg 258
Dearborn 240
Dong Ket 230
North Bergen 222
Shanghai 215
Munich 205
Brussels 197
Warsaw 185
Baghdad 183
Montreal 177
Chennai 168
Frankfurt am Main 164
Brooklyn 157
Houston 151
Toronto 151
London 147
Jakarta 145
Fairfield 139
Columbus 136
Denver 135
Stockholm 134
Wuhan 128
Da Nang 122
Salt Lake City 120
Voghera 120
Johannesburg 113
Rome 113
San Francisco 109
Manchester 103
Phoenix 103
Poplar 103
Atlanta 102
Nanjing 102
Rio de Janeiro 102
Tashkent 100
Kunming 99
Norwalk 97
Lahore 95
Amman 87
Las Vegas 87
Hangzhou 86
Belo Horizonte 83
Turku 83
Dhaka 81
Haiphong 78
Mexico City 75
Mumbai 75
Ankara 73
Totale 102.071
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Nome #
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 3.892
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 511
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 436
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 416
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 361
From Norbornadiene to Norcamphor and Camphor : Reduced-Cost Semiexperimental Structural Refinement from Limited Isotopologue Data 351
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 345
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 345
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 342
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 334
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 329
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 327
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 324
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 319
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 316
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 316
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 315
A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond 312
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 311
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 308
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 305
??? Computational of Spectroscopic Parameters of Biological Molecules 304
A fully automated implementation of VPT2 infrared intensities 299
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 299
A diabatic electronic state system to describe the internal conversion of azulene 297
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) 297
A computational protocol to probe the role of solvation effects on the reduction potential of azurine mutants 297
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 296
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 293
A density functional study of thorium tetrahalides 291
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 289
General formulation of vibronic spectroscopy in internal coordinates 289
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 286
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 286
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 285
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 285
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 284
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 282
The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid 281
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 281
Virtual reality tools for advanced modeling 279
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 277
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 277
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 276
[4 pi+2 pi] cycloadditions of N-acyl-thioformamides 276
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 276
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 274
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 274
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 272
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 271
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach 269
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 268
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 267
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 265
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures 265
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 265
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 265
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 263
Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry 263
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 262
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 262
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 262
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 262
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 260
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 259
Towards the SMART workflow system for computational spectroscopy 259
Gliding on Ice in search of accurate and cost-effective computational methods for Astrochemistry on Grains: the puzzling case of the HCN isomerization 257
Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective 255
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 255
Accuracy meets interpretability for computational spectroscopy by means of hybrid and double-hybrid functionals 255
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 254
Neutral copper(I) complexes featuring phosphinesulfonate chelates 253
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 252
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 252
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 252
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 251
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation 251
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 251
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 250
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 249
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) 249
: 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 248
Accurate ground and excited state studies for molecular systems of biological interest. 248
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project 248
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 247
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 247
PCILINDO: the PCILO Method at the INDO Level 246
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes 246
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 244
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 244
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations 244
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 243
The role of state-of-the-art quantum-chemical calculations in astrochemistry : formation route and spectroscopy of ethanimine as a paradigmatic case 243
A mean field approach for molecular simulations of fluid systems 242
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 242
Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction 242
Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153 240
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 240
Unveiling the Sulfur–Sulfur Bridge : Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond 240
Exploring the Maze of C2N2H5 Radicals and Their Fragments in the Interstellar Medium with the Help of Quantum-Chemical Computations 240
Totale 31.724
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Categoria #
all - tutte 626.172
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 626.172
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.111 0 0 0 0 0 0 0 0 0 0 0 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
2025/202662.558 3.945 5.517 10.563 6.089 3.936 2.574 8.984 3.810 8.558 4.217 2.358 2.007
Totale 157.080