CAPPELLI, Chiara
 Distribuzione geografica
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Continente #
NA - Nord America 11.725
EU - Europa 7.186
AS - Asia 6.581
SA - Sud America 995
AF - Africa 124
OC - Oceania 23
Continente sconosciuto - Info sul continente non disponibili 13
Totale 26.647
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Nazione #
US - Stati Uniti d'America 11.507
IT - Italia 2.130
SG - Singapore 2.031
CN - Cina 1.836
KR - Corea 1.045
RU - Federazione Russa 1.039
IE - Irlanda 1.009
SE - Svezia 887
BR - Brasile 863
TR - Turchia 582
DE - Germania 470
UA - Ucraina 416
HK - Hong Kong 369
GB - Regno Unito 315
VN - Vietnam 199
FI - Finlandia 195
FR - Francia 147
AT - Austria 136
CA - Canada 125
ID - Indonesia 95
IN - India 91
JP - Giappone 88
BE - Belgio 70
MX - Messico 59
PL - Polonia 56
ES - Italia 55
NL - Olanda 52
AR - Argentina 51
BD - Bangladesh 48
ZA - Sudafrica 47
PK - Pakistan 43
CH - Svizzera 33
NO - Norvegia 31
EC - Ecuador 27
IQ - Iraq 26
DK - Danimarca 22
LT - Lituania 19
MA - Marocco 18
CO - Colombia 17
AU - Australia 16
IR - Iran 15
CL - Cile 14
LU - Lussemburgo 13
AL - Albania 12
SA - Arabia Saudita 12
CZ - Repubblica Ceca 11
IL - Israele 11
MY - Malesia 11
BG - Bulgaria 10
AE - Emirati Arabi Uniti 9
EG - Egitto 9
EU - Europa 9
KE - Kenya 9
UZ - Uzbekistan 9
JO - Giordania 8
VE - Venezuela 8
BA - Bosnia-Erzegovina 6
HR - Croazia 6
NP - Nepal 6
NZ - Nuova Zelanda 6
PT - Portogallo 6
TN - Tunisia 6
AZ - Azerbaigian 5
GR - Grecia 5
HU - Ungheria 5
KZ - Kazakistan 5
PY - Paraguay 5
RO - Romania 5
RS - Serbia 5
TT - Trinidad e Tobago 5
UY - Uruguay 5
DO - Repubblica Dominicana 4
ET - Etiopia 4
MD - Moldavia 4
TW - Taiwan 4
A2 - ???statistics.table.value.countryCode.A2??? 3
BO - Bolivia 3
DZ - Algeria 3
HN - Honduras 3
JM - Giamaica 3
KG - Kirghizistan 3
KH - Cambogia 3
KW - Kuwait 3
LB - Libano 3
LK - Sri Lanka 3
LV - Lettonia 3
NG - Nigeria 3
OM - Oman 3
PH - Filippine 3
AO - Angola 2
BB - Barbados 2
BN - Brunei Darussalam 2
BW - Botswana 2
CD - Congo 2
CY - Cipro 2
DM - Dominica 2
EE - Estonia 2
GE - Georgia 2
GH - Ghana 2
GM - Gambi 2
Totale 26.596
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Città #
Dallas 1.555
Ashburn 1.351
Chandler 1.207
Seoul 1.042
Dublin 1.003
Pisa 996
Singapore 992
Jacksonville 955
Boardman 757
Izmir 404
Moscow 368
Hefei 366
New York 360
Hong Kong 353
Ann Arbor 302
Wilmington 274
The Dalles 265
Boston 237
Millbury 208
Los Angeles 201
Beijing 193
Kent 179
Scuola 151
Istanbul 146
Mestre 143
Lawrence 133
San Mateo 131
Chicago 128
Vienna 126
Santa Clara 120
Ogden 113
Washington 111
Columbus 102
Milan 90
Munich 86
São Paulo 84
Düsseldorf 83
Tokyo 82
Woodbridge 80
Jakarta 76
Guangzhou 74
Marseille 70
Ho Chi Minh City 62
Council Bluffs 59
Bremen 57
San Giuliano Terme 57
Buffalo 56
Seattle 54
Voghera 53
Shanghai 51
Brussels 49
Brooklyn 48
Warsaw 48
Salt Lake City 46
Montreal 45
Helsinki 44
Stockholm 42
Houston 40
Johannesburg 38
Hanoi 35
Dong Ket 34
London 34
Turku 34
Atlanta 32
Poplar 32
Orem 30
San Francisco 30
Chennai 29
San Paolo di Civitate 29
Denver 27
Fairfield 27
Mexico City 27
Norwalk 27
Florence 26
Wuhan 26
Phoenix 25
Rio de Janeiro 25
Toronto 24
Amsterdam 23
Belo Horizonte 23
Frankfurt am Main 23
Rome 23
Berlin 22
North Bergen 22
Princeton 22
Manchester 21
Trondheim 21
Antwerpen 20
Ankara 19
Hangzhou 19
Lahore 19
Livorno 19
Winnipeg 19
Falls Church 18
Bologna 17
Dearborn 17
Jiaxing 17
Las Vegas 17
Mumbai 17
Padova 17
Totale 17.534
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Nome #
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 327
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches 273
A 4,4′-bis(2-benzoxazolyl)stilbene luminescent probe: Assessment of aggregate formation through photophysics experiments and quantum-chemical calculations 266
Composti particolarmente catalizzatori di poliuretani 246
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution 240
Calculation of Molecular Properties in Solution 239
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution 237
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions 231
Evaluation of Hyperpolarizability from the Solvatochromic Method: Thiophene Containing Push–Pull Cationic Dyes as a Case Study 229
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 228
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution 228
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles 227
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated 227
Multiscale Modeling of Surface Enhanced Fluorescence 225
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 224
The Amsterdam Modeling Suite 221
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems 220
A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions 219
A polarizable three-layer frozen density embedding/molecular mechanics approach 219
On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study 218
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 212
A quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids 212
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation? 210
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures? 208
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 208
Optical rotatory dispersion of methyloxirane in aqueous solution: assessing the performance of density functional theory in combination with a fully polarizable QM/MM/PCM approach 205
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: the QM/FQFμ model 205
NACYLUREA COMPOUNDS FOR PREPARING POLYURETHANES 203
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures 203
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes 201
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions 200
A molecular twist on hydrophobicity 199
Absorption spectra of xanthines in aqueous solution: A computational study 199
A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol 196
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution 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
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 194
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation 193
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 192
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 189
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
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems 187
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling 184
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005) 180
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach 177
Understanding the Structural and Binding Properties of Collagen: a Theoretical Perspective 176
Linear response theory and electronic transition energies for a fully polarizable QM/Classical Hamiltonian 176
A Combination of Transient 2D-IR Experiments and ab initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids 173
Multilevel Density Functional Theory 173
Cavity Field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3- Methyl-cyclopentanone 172
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes 172
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects 171
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 170
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case 169
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 168
Properties and Spectroscopies 168
Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts 167
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies 167
Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles 165
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 165
Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches 164
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects 164
Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution 160
Origin invariance in vibrational resonance Raman optical activity 159
The infrared and vibrational circular dichroism spectra of (S)proline in water: an ab initio study 157
Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect 156
Investigation of electronic energy transfer in a BODIPY-decorated calix[4]arene 154
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures 154
Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts 154
The Electronic Circular Dichroism of Nicotine in Aqueous Solution: a Test Case for Continuum and Explicit-Continuum approaches 154
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model 153
Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase (vol 122, artn no 234314, 2005) 153
Integrated QM/polarizable MM/continuum approaches to model chiroptical properties of strongly interacting solute-solvent systems 152
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments 152
An integrated computational tool to model the broadening of absorption bands of flexible dyes in solution: cationic chromophores as test cases 152
Second-order Møller Plesset second derivatives for the Polarizable Continuum Model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 150
Excitation dynamics in hetero-bichromophoric calixarene systems 150
Solvent effects on vibrational modes: ab initio calculation, scaling and solvent functions with applications to the carbonyl stretch of dialkyl ketones 149
POLY 606-A Molecular Dynamics Approach to the Supramolecular Structure of Collagen and Related Binding Properties 148
Binding of SARS-CoV-2 to cell receptors: a tale of molecular evolution 147
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores 146
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects 146
Duschinsky, Herzberg–Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene 145
Density functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase 145
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 144
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges 144
Toward ab-initio Anharmonic Vibrational Circular Dichroism Spectra in Condensed Phase 143
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case 143
Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study 143
Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study 142
Deciphering the structure of deep eutectic solvents: A computational study from the solute's viewpoint 140
Ultrafast resonance energy transfer in the umbelliferone–alizarin bichromophore 138
Modeling Solvent Effects on Chiroptical Properties 137
Evolution of Bonding During the Insertion of Anionic Ibuprofen Into Model Cell Membranes 137
Errata: On the calculation of infrared intensities in solution within the Polarizable Continuum Model 135
Modeling vibrational coupling in DNA oligomers: a computational strategy combining QM and continuum solvation models 134
On the calculation of infrared intensities in solution within the Polarizable Continuum Model 134
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman 134
Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg-Teller Effects 133
Totale 18.165
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Categoria #
all - tutte 133.842
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 133.842
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021998 0 0 0 0 0 70 133 179 69 305 66 176
2021/20221.358 83 15 8 65 116 29 36 95 91 158 33 629
2022/20235.146 318 426 252 412 349 466 24 1.153 1.469 37 118 122
2023/20242.023 145 62 198 51 113 551 102 97 187 102 30 385
2024/20256.410 261 141 293 433 862 167 226 289 1.300 442 894 1.102
2025/20268.033 1.105 1.248 2.317 1.806 1.451 106 0 0 0 0 0 0
Totale 27.209