BARONE, Vincenzo
 Distribuzione geografica
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Continente #
NA - Nord America 63.436
EU - Europa 45.318
AS - Asia 35.822
SA - Sud America 5.188
AF - Africa 979
Continente sconosciuto - Info sul continente non disponibili 140
OC - Oceania 64
Totale 150.947
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Nazione #
US - Stati Uniti d'America 62.490
RU - Federazione Russa 10.527
IT - Italia 10.400
SG - Singapore 9.351
CN - Cina 9.163
SE - Svezia 6.182
IE - Irlanda 5.639
KR - Corea 5.151
BR - Brasile 3.948
TR - Turchia 3.261
DE - Germania 2.771
UA - Ucraina 2.686
VN - Vietnam 2.408
HK - Hong Kong 2.260
GB - Regno Unito 2.073
FR - Francia 1.226
FI - Finlandia 1.066
IN - India 902
CH - Svizzera 880
BD - Bangladesh 465
CA - Canada 465
IQ - Iraq 420
AR - Argentina 406
NL - Olanda 395
JP - Giappone 327
ID - Indonesia 319
PK - Pakistan 298
AT - Austria 295
MX - Messico 265
ZA - Sudafrica 236
PL - Polonia 222
BE - Belgio 216
ES - Italia 211
PH - Filippine 210
CO - Colombia 199
SA - Arabia Saudita 187
EC - Ecuador 166
MA - Marocco 162
VE - Venezuela 156
MY - Malesia 127
EU - Europa 125
UZ - Uzbekistan 114
CL - Cile 109
TN - Tunisia 105
JO - Giordania 102
IL - Israele 95
KE - Kenya 87
EG - Egitto 82
AE - Emirati Arabi Uniti 77
IR - Iran 68
LT - Lituania 66
PE - Perù 58
PY - Paraguay 57
AZ - Azerbaigian 56
DZ - Algeria 53
NP - Nepal 53
OM - Oman 52
ET - Etiopia 48
PT - Portogallo 47
KZ - Kazakistan 44
TH - Thailandia 43
AU - Australia 42
LB - Libano 42
UY - Uruguay 39
AL - Albania 38
BG - Bulgaria 37
BO - Bolivia 36
CR - Costa Rica 36
RO - Romania 36
JM - Giamaica 34
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
SY - Repubblica araba siriana 20
DO - Repubblica Dominicana 19
GR - Grecia 19
SN - Senegal 19
NG - Nigeria 18
TT - Trinidad e Tobago 18
NI - Nicaragua 17
HR - Croazia 16
LY - Libia 16
NZ - Nuova Zelanda 16
QA - Qatar 15
TW - Taiwan 15
AO - Angola 14
HN - Honduras 14
LV - Lettonia 14
CI - Costa d'Avorio 13
GA - Gabon 13
GE - Georgia 13
KW - Kuwait 13
Totale 150.606
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Città #
Dallas 8.953
Pisa 6.646
Ashburn 6.597
Jacksonville 6.006
Chandler 5.879
Dublin 5.628
Seoul 5.133
Singapore 4.777
San Jose 4.431
Boardman 3.867
Moscow 2.879
Wilmington 2.263
Izmir 2.258
Hong Kong 2.077
Hefei 1.864
Boston 1.349
Ann Arbor 1.275
Millbury 1.252
New York 1.196
Beijing 1.179
Los Angeles 1.174
The Dalles 936
Kent 885
San Mateo 809
Lauterbourg 778
Düsseldorf 775
Istanbul 765
Bern 759
Ho Chi Minh City 717
Lawrence 664
Ogden 573
Mestre 527
Hanoi 526
Seattle 506
Chicago 497
Scuola 483
Milan 409
Council Bluffs 392
San Paolo di Civitate 381
Santa Clara 379
Woodbridge 366
São Paulo 355
Washington 352
Princeton 319
Amsterdam 294
Bremen 276
Guangzhou 273
Vienna 273
Orem 265
Helsinki 263
Buffalo 261
Saint Petersburg 258
Tokyo 255
Dearborn 239
Dong Ket 230
North Bergen 222
Shanghai 213
Munich 203
Brussels 197
Warsaw 185
Baghdad 183
Chennai 168
Montreal 167
Frankfurt am Main 164
Brooklyn 150
Jakarta 145
London 145
Toronto 142
Houston 140
Fairfield 139
Stockholm 134
Columbus 132
Denver 130
Wuhan 128
Da Nang 122
Voghera 120
Salt Lake City 119
Johannesburg 113
Rome 105
San Francisco 105
Manchester 103
Poplar 103
Nanjing 102
Rio de Janeiro 102
Tashkent 100
Kunming 99
Norwalk 97
Atlanta 96
Lahore 95
Phoenix 93
Amman 87
Las Vegas 84
Belo Horizonte 83
Turku 83
Hangzhou 82
Dhaka 80
Haiphong 78
Mexico City 74
Ankara 73
Mumbai 73
Totale 98.281
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Nome #
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 3.848
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 504
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 433
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 406
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 356
From Norbornadiene to Norcamphor and Camphor : Reduced-Cost Semiexperimental Structural Refinement from Limited Isotopologue Data 346
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 336
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 332
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 328
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 320
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 320
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 318
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 312
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 310
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 309
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 308
A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond 307
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 302
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 301
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 301
??? Computational of Spectroscopic Parameters of Biological Molecules 300
A fully automated implementation of VPT2 infrared intensities 291
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 291
A diabatic electronic state system to describe the internal conversion of azulene 290
A computational protocol to probe the role of solvation effects on the reduction potential of azurine mutants 290
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 289
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) 286
A density functional study of thorium tetrahalides 284
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 284
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 281
General formulation of vibronic spectroscopy in internal coordinates 281
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 281
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 281
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 278
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 277
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 274
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 273
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 273
[4 pi+2 pi] cycloadditions of N-acyl-thioformamides 271
Virtual reality tools for advanced modeling 269
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 268
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 266
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 266
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 266
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 265
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 265
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 260
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures 260
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 260
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 260
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 259
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 258
The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid 258
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach 258
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 258
Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry 258
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 257
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 257
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 256
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 255
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 255
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 254
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 253
Towards the SMART workflow system for computational spectroscopy 252
Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective 251
Gliding on Ice in search of accurate and cost-effective computational methods for Astrochemistry on Grains: the puzzling case of the HCN isomerization 251
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 250
Accuracy meets interpretability for computational spectroscopy by means of hybrid and double-hybrid functionals 250
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 248
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 247
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 247
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 247
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 247
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 245
Accurate ground and excited state studies for molecular systems of biological interest. 244
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 243
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 243
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 243
PCILINDO: the PCILO Method at the INDO Level 243
: 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 242
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes 242
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 241
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 240
Combining the Fluctuating Charge Method, Non-periodic Boundary Conditions and Meta-dynamics: Aqua Ions as Case Studies 240
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 240
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 240
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 240
A mean field approach for molecular simulations of fluid systems 239
Neutral copper(I) complexes featuring phosphinesulfonate chelates 239
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project 239
Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction 238
A Mean Field Approach for Molecular Simulations of Liquids and Solutions 236
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations 236
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm 236
Unveiling the Sulfur–Sulfur Bridge : Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond 235
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 235
Gas phase formation of the prebiotic molecule formamide: insights from new quantum computations 235
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation 234
Vapochromic behavior of polycarbonate films doped with a luminescent molecular rotor 233
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? 232
Totale 30.856
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Categoria #
all - tutte 593.189
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 593.189
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20213.513 0 0 0 0 0 0 0 0 0 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
2025/202657.620 3.945 5.517 10.563 6.089 3.936 2.574 8.984 3.810 8.558 3.644 0 0
Totale 152.142