BARONE, Vincenzo
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 71.702
EU - Europa 46.267
AS - Asia 36.526
SA - Sud America 5.253
Continente sconosciuto - Info sul continente non disponibili 1.338
AF - Africa 979
OC - Oceania 67
Totale 162.132
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 70.589
IT - Italia 11.295
RU - Federazione Russa 10.512
SG - Singapore 9.546
CN - Cina 9.317
SE - Svezia 6.176
IE - Irlanda 5.631
KR - Corea 5.156
BR - Brasile 3.981
TR - Turchia 3.254
DE - Germania 2.774
UA - Ucraina 2.688
VN - Vietnam 2.410
HK - Hong Kong 2.297
GB - Regno Unito 2.075
FR - Francia 1.232
FI - Finlandia 1.064
IN - India 909
CH - Svizzera 881
BD - Bangladesh 763
CA - Canada 544
IQ - Iraq 420
AR - Argentina 413
NL - Olanda 407
JP - Giappone 332
ID - Indonesia 320
PK - Pakistan 298
AT - Austria 295
MX - Messico 284
ES - Italia 237
ZA - Sudafrica 236
PL - Polonia 230
BE - Belgio 217
PH - Filippine 212
CO - Colombia 211
SA - Arabia Saudita 188
EC - Ecuador 170
MA - Marocco 162
VE - Venezuela 158
MY - Malesia 128
EU - Europa 125
UZ - Uzbekistan 115
CL - Cile 114
TN - Tunisia 106
JO - Giordania 102
IL - Israele 95
KE - Kenya 86
EG - Egitto 82
AE - Emirati Arabi Uniti 77
IR - Iran 68
LT - Lituania 67
PE - Perù 59
PY - Paraguay 57
AZ - Azerbaigian 56
NP - Nepal 54
CR - Costa Rica 53
DZ - Algeria 53
OM - Oman 52
PT - Portogallo 52
ET - Etiopia 48
JM - Giamaica 45
TH - Thailandia 45
AU - Australia 44
KZ - Kazakistan 44
LB - Libano 42
AL - Albania 40
UY - Uruguay 40
BG - Bulgaria 38
RO - Romania 38
BO - Bolivia 36
RS - Serbia 35
CZ - Repubblica Ceca 32
PS - Palestinian Territory 31
NO - Norvegia 27
BY - Bielorussia 26
HU - Ungheria 26
KG - Kirghizistan 26
PA - Panama 26
DK - Danimarca 25
BH - Bahrain 22
HN - Honduras 22
MD - Moldavia 22
NI - Nicaragua 22
GR - Grecia 21
TT - Trinidad e Tobago 21
DO - Repubblica Dominicana 20
SY - Repubblica araba siriana 20
SN - Senegal 19
NG - Nigeria 18
NZ - Nuova Zelanda 17
HR - Croazia 16
LY - Libia 16
QA - Qatar 15
SV - El Salvador 15
TW - Taiwan 15
AO - Angola 14
GT - Guatemala 14
LV - Lettonia 14
SK - Slovacchia (Repubblica Slovacca) 14
CI - Costa d'Avorio 13
Totale 160.569
Salva come PNG Salva come JPEG
Città #
Dallas 8.964
Ashburn 7.168
Pisa 6.642
Jacksonville 6.000
Chandler 5.870
Dublin 5.621
Seoul 5.136
San Jose 5.019
Council Bluffs 4.880
Singapore 4.836
Boardman 3.862
Moscow 2.878
Wilmington 2.265
Izmir 2.252
Hong Kong 2.113
Hefei 1.862
Boston 1.350
New York 1.284
Ann Arbor 1.275
Millbury 1.251
Beijing 1.236
Los Angeles 1.232
Clifton 1.065
The Dalles 937
Kent 884
San Mateo 810
Lauterbourg 777
Düsseldorf 775
Istanbul 764
Bern 759
Milan 754
Ho Chi Minh City 715
Lawrence 663
Ogden 573
Hanoi 529
Mestre 527
Seattle 511
Chicago 510
Santa Clara 503
Scuola 482
San Paolo di Civitate 381
Woodbridge 367
Washington 364
São Paulo 354
Princeton 319
Amsterdam 297
Buffalo 288
Bremen 275
Guangzhou 274
Vienna 273
Orem 267
Helsinki 262
Tokyo 259
Saint Petersburg 258
Dearborn 240
Dong Ket 230
Shanghai 223
North Bergen 222
Munich 205
Brussels 198
Warsaw 187
Baghdad 183
Montreal 177
Chennai 168
Brooklyn 164
Frankfurt am Main 164
Houston 153
Toronto 152
Phoenix 151
London 147
Jakarta 145
Fairfield 141
Columbus 138
Rome 138
Denver 137
Stockholm 132
Wuhan 128
Da Nang 122
Salt Lake City 122
Voghera 120
Johannesburg 113
Atlanta 111
San Francisco 111
Manchester 104
Poplar 103
Rio de Janeiro 103
Nanjing 102
Tashkent 100
Kunming 99
Norwalk 98
Las Vegas 96
Lahore 95
Florence 90
Mexico City 88
Amman 87
Belo Horizonte 85
Hangzhou 85
Dhaka 83
Turku 82
Haiphong 78
Totale 105.972
Salva come PNG Salva come JPEG
Nome #
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties 3.926
THEORETICAL APPROACH TO THE STRUCTURE AND HYPERFINE COUPLING-CONSTANTS OF NONRIGID RADICALS - THE CASE OF H2NO 520
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy 441
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 423
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution 371
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 364
From Norbornadiene to Norcamphor and Camphor : Reduced-Cost Semiexperimental Structural Refinement from Limited Isotopologue Data 357
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 351
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 346
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 340
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 334
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 332
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 329
Chemical bonding in cuprous complexes with simple nitriles: Octet rule and resonance concepts: Versus quantitative charge-redistribution analysis 326
A computational insight into the relationship between side chain IR line shapes and local environment in fibril-like structures 326
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 322
A computational journey across nitroxide radicals: From structure to spectroscopic properties and beyond 320
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 318
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS 317
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 316
??? Computational of Spectroscopic Parameters of Biological Molecules 313
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) 313
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) 313
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 311
A diabatic electronic state system to describe the internal conversion of azulene 306
Noncovalent Interactions and Internal Dynamics in Pyridine-Ammonia: A Combined Quantum-Chemical and Microwave Spectroscopy Study 305
A fully automated implementation of VPT2 infrared intensities 304
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 303
A computational protocol to probe the role of solvation effects on the reduction potential of azurine mutants 303
A density functional study of thorium tetrahalides 300
Accurate Quantum Chemical Spectroscopic Characterization of Glycolic Acid: A Route Toward its Astrophysical Detection 300
General formulation of vibronic spectroscopy in internal coordinates 297
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 295
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 292
The catecholic antioxidant piceatannol is an effective nitrosation inhibitor via an unusual double bond nitration 292
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 291
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality 290
Rotational and Infrared Spectroscopy of Ethanimine: A Route toward Its Astrophysical and Planetary Detection 289
Immersive virtual reality in computational chemistry: Applications to the analysis of QM and MM data 288
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra 288
Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment 286
The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid 286
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 285
Virtual reality tools for advanced modeling 285
[4 pi+2 pi] cycloadditions of N-acyl-thioformamides 282
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology 281
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 280
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 280
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations 280
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 279
Accurate prediction of bulk properties in hydrogen bonded liquids: amides as case studies 279
Interplay of stereo-electronic, vibronic and environmental effects in tuning the chiroptical properties of an Ir(III) cyclometalated N-heterocyclic carbene 277
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures 275
Ferrocenes with simple chiral substituents: An in-depth theoretical and experimental VCD and ECD study 274
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach 274
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 274
Accurate Simulation of Resonance-Raman Spectra of Flexible Molecules: An Internal Coordinates Approach 273
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 272
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments 271
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 270
General Perturb-Then-Diagonalize Model for the Vibrational Frequencies and Intensities of Molecules Belonging to Abelian and Non-Abelian Symmetry Groups 270
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 270
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 268
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 268
Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry 268
Gliding on Ice in search of accurate and cost-effective computational methods for Astrochemistry on Grains: the puzzling case of the HCN isomerization 266
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality 265
Reversible vapochromic response of polymer films doped with a highly emissive molecular rotor 264
High-Accuracy Vibrational Computations for Transition-Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene, and Osmocene as Test Cases 264
Seeds of Life in Space (SOLIS): II. Formamide in protostellar shocks: Evidence for gas-phase formation 262
Towards the SMART workflow system for computational spectroscopy 262
Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy 260
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 260
Accuracy meets interpretability for computational spectroscopy by means of hybrid and double-hybrid functionals 260
A hybrid explicit/implicit solvation method for first-principle molecular dynamics simulations 259
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 258
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 258
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 258
Neutral copper(I) complexes featuring phosphinesulfonate chelates 257
Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective 257
On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes 257
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 257
Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative 256
Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy 256
PCILINDO: the PCILO Method at the INDO Level 256
: 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 255
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules 254
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues 253
TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes 252
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 251
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 251
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project 251
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm 251
Accurate ground and excited state studies for molecular systems of biological interest. 250
Ab Initio Calculations of Absorption Spectra of Large Molecules in Solution: Coumarin C153 249
A mean field approach for molecular simulations of fluid systems 248
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 248
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations 248
Gas phase formation of the prebiotic molecule formamide: insights from new quantum computations 248
Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction 247
Totale 32.527
Salva come PNG Salva come JPEG
Categoria #
all - tutte 650.115
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 650.115
Salva come PNG Salva come JPEG


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20225.917 0 57 70 346 461 82 140 582 440 476 195 3.068
2022/202327.221 1.916 1.795 1.073 1.895 1.706 2.380 35 6.990 8.274 169 449 539
2023/20248.603 1.423 272 904 207 459 1.940 431 491 893 304 78 1.201
2024/202525.072 954 308 1.104 1.740 3.411 359 737 1.279 4.824 1.275 4.137 4.944
2025/202663.390 3.938 5.508 10.549 6.079 3.929 2.571 8.976 3.808 8.541 4.211 2.357 2.923
2026/20274.337 3.062 1.275 0 0 0 0 0 0 0 0 0 0
Totale 162.132