CAPPELLI, Chiara
 Distribuzione geografica
Salva come PNG Salva come JPEG
Continente #
NA - Nord America 11.960
EU - Europa 7.244
AS - Asia 6.818
SA - Sud America 1.107
AF - Africa 159
OC - Oceania 24
Continente sconosciuto - Info sul continente non disponibili 13
Totale 27.325
Salva come PNG Salva come JPEG
Nazione #
US - Stati Uniti d'America 11.721
IT - Italia 2.132
SG - Singapore 2.049
CN - Cina 1.847
KR - Corea 1.045
RU - Federazione Russa 1.044
IE - Irlanda 1.009
BR - Brasile 942
SE - Svezia 888
TR - Turchia 589
DE - Germania 470
UA - Ucraina 421
HK - Hong Kong 389
GB - Regno Unito 330
VN - Vietnam 239
FI - Finlandia 195
FR - Francia 150
AT - Austria 136
CA - Canada 131
IN - India 121
ID - Indonesia 102
JP - Giappone 90
BE - Belgio 70
AR - Argentina 66
BD - Bangladesh 66
ES - Italia 65
MX - Messico 64
PL - Polonia 62
NL - Olanda 53
PK - Pakistan 52
ZA - Sudafrica 51
IQ - Iraq 47
CH - Svizzera 33
EC - Ecuador 31
NO - Norvegia 31
DK - Danimarca 22
LT - Lituania 21
MA - Marocco 20
CO - Colombia 18
SA - Arabia Saudita 18
AE - Emirati Arabi Uniti 16
AU - Australia 16
CL - Cile 16
JO - Giordania 16
KE - Kenya 16
IR - Iran 15
MY - Malesia 15
AL - Albania 14
IL - Israele 13
LU - Lussemburgo 13
UZ - Uzbekistan 13
VE - Venezuela 13
CZ - Repubblica Ceca 11
EG - Egitto 11
BG - Bulgaria 10
AZ - Azerbaigian 9
EU - Europa 9
NP - Nepal 8
PY - Paraguay 8
TN - Tunisia 8
TT - Trinidad e Tobago 8
BA - Bosnia-Erzegovina 6
DZ - Algeria 6
GR - Grecia 6
HR - Croazia 6
KZ - Kazakistan 6
MD - Moldavia 6
NZ - Nuova Zelanda 6
PH - Filippine 6
PT - Portogallo 6
UY - Uruguay 6
DO - Repubblica Dominicana 5
ET - Etiopia 5
HU - Ungheria 5
KG - Kirghizistan 5
RO - Romania 5
RS - Serbia 5
TW - Taiwan 5
JM - Giamaica 4
NG - Nigeria 4
OM - Oman 4
PE - Perù 4
A2 - ???statistics.table.value.countryCode.A2??? 3
AO - Angola 3
BB - Barbados 3
BO - Bolivia 3
BY - Bielorussia 3
CD - Congo 3
CG - Congo 3
GE - Georgia 3
HN - Honduras 3
KH - Cambogia 3
KW - Kuwait 3
LB - Libano 3
LK - Sri Lanka 3
LV - Lettonia 3
PA - Panama 3
PS - Palestinian Territory 3
TH - Thailandia 3
BN - Brunei Darussalam 2
Totale 27.252
Salva come PNG Salva come JPEG
Città #
Dallas 1.555
Ashburn 1.398
Chandler 1.207
Seoul 1.042
Singapore 1.008
Dublin 1.003
Pisa 996
Jacksonville 955
Boardman 757
Izmir 405
New York 371
Moscow 369
Hefei 366
Hong Kong 356
Ann Arbor 302
Wilmington 274
The Dalles 267
Boston 237
Los Angeles 234
Millbury 208
Beijing 193
Kent 179
Scuola 151
Istanbul 148
Mestre 143
Lawrence 133
San Mateo 131
Chicago 130
Vienna 126
Santa Clara 121
Ogden 113
Washington 111
Columbus 102
São Paulo 94
Milan 90
Munich 86
Düsseldorf 83
Tokyo 82
Woodbridge 80
Jakarta 79
Ho Chi Minh City 75
Guangzhou 74
Marseille 70
Council Bluffs 61
Bremen 57
San Giuliano Terme 57
Buffalo 56
Seattle 54
Warsaw 54
Shanghai 53
Voghera 53
Brooklyn 50
Brussels 49
Montreal 48
Salt Lake City 46
Hanoi 45
Helsinki 44
Houston 42
Stockholm 42
Johannesburg 41
Orem 40
London 36
Atlanta 34
Dong Ket 34
San Jose 34
Turku 34
Poplar 33
Chennai 31
Denver 31
San Francisco 30
San Paolo di Civitate 29
Mexico City 28
Fairfield 27
Norwalk 27
Florence 26
North Bergen 26
Rio de Janeiro 26
Toronto 26
Wuhan 26
Belo Horizonte 25
Phoenix 25
Amsterdam 24
Mumbai 24
Frankfurt am Main 23
Manchester 23
Rome 23
Berlin 22
Lahore 22
Princeton 22
Ankara 21
Trondheim 21
Antwerpen 20
Baghdad 19
Hangzhou 19
Livorno 19
Winnipeg 19
Falls Church 18
Bologna 17
Dearborn 17
Jiaxing 17
Totale 17.774
Salva come PNG Salva come JPEG
Nome #
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 338
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches 283
A 4,4′-bis(2-benzoxazolyl)stilbene luminescent probe: Assessment of aggregate formation through photophysics experiments and quantum-chemical calculations 271
Composti particolarmente catalizzatori di poliuretani 249
Calculation of Molecular Properties in Solution 246
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution 244
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution 241
Evaluation of Hyperpolarizability from the Solvatochromic Method: Thiophene Containing Push–Pull Cationic Dyes as a Case Study 235
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles 234
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions 232
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated 232
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 231
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution 231
Multiscale Modeling of Surface Enhanced Fluorescence 228
The Amsterdam Modeling Suite 228
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 228
A polarizable three-layer frozen density embedding/molecular mechanics approach 227
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems 227
A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions 226
On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study 221
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 220
A quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids 219
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation? 214
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: the QM/FQFμ model 214
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 211
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures? 210
NACYLUREA COMPOUNDS FOR PREPARING POLYURETHANES 210
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures 209
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 207
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes 207
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions 204
Absorption spectra of xanthines in aqueous solution: A computational study 203
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 202
A molecular twist on hydrophobicity 202
A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol 200
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution 199
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 199
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation 199
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 197
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? 195
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 193
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems 191
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 190
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling 187
Understanding the Structural and Binding Properties of Collagen: a Theoretical Perspective 184
Linear response theory and electronic transition energies for a fully polarizable QM/Classical Hamiltonian 183
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005) 183
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 182
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach 182
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 181
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 180
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes 180
Cavity Field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3- Methyl-cyclopentanone 178
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects 177
Multilevel Density Functional Theory 176
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case 174
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 172
Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts 171
Properties and Spectroscopies 171
Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles 170
Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution 169
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies 168
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects 167
Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect 166
Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches 166
Origin invariance in vibrational resonance Raman optical activity 166
The infrared and vibrational circular dichroism spectra of (S)proline in water: an ab initio study 162
Investigation of electronic energy transfer in a BODIPY-decorated calix[4]arene 158
Integrated QM/polarizable MM/continuum approaches to model chiroptical properties of strongly interacting solute-solvent systems 157
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model 157
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures 157
Solvent effects on vibrational modes: ab initio calculation, scaling and solvent functions with applications to the carbonyl stretch of dialkyl ketones 156
An integrated computational tool to model the broadening of absorption bands of flexible dyes in solution: cationic chromophores as test cases 156
Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts 156
Second-order Møller Plesset second derivatives for the Polarizable Continuum Model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 155
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments 155
Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase (vol 122, artn no 234314, 2005) 155
POLY 606-A Molecular Dynamics Approach to the Supramolecular Structure of Collagen and Related Binding Properties 154
Excitation dynamics in hetero-bichromophoric calixarene systems 154
The Electronic Circular Dichroism of Nicotine in Aqueous Solution: a Test Case for Continuum and Explicit-Continuum approaches 154
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores 152
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects 152
Duschinsky, Herzberg–Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene 151
Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study 151
Binding of SARS-CoV-2 to cell receptors: a tale of molecular evolution 150
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case 149
Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study 148
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges 148
Toward ab-initio Anharmonic Vibrational Circular Dichroism Spectra in Condensed Phase 147
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 146
Density functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase 146
Deciphering the structure of deep eutectic solvents: A computational study from the solute's viewpoint 143
Ultrafast resonance energy transfer in the umbelliferone–alizarin bichromophore 142
Modeling Solvent Effects on Chiroptical Properties 141
On the calculation of infrared intensities in solution within the Polarizable Continuum Model 141
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman 140
Errata: On the calculation of infrared intensities in solution within the Polarizable Continuum Model 140
Evolution of Bonding During the Insertion of Anionic Ibuprofen Into Model Cell Membranes 139
Molecular spectroscopy of aqueous solutions: a theoretical perspective 139
Multireference Perturbation CI methods for solvated systems described within the polarizable continuum model 136
Totale 18.667
Salva come PNG Salva come JPEG
Categoria #
all - tutte 135.570
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 135.570
Salva come PNG Salva come JPEG


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
2025/20268.711 1.105 1.248 2.317 1.806 1.451 784 0 0 0 0 0 0
Totale 27.887