CAPPELLI, Chiara
 Distribuzione geografica
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Continente #
NA - Nord America 15.611
EU - Europa 9.660
AS - Asia 9.292
SA - Sud America 1.583
AF - Africa 308
OC - Oceania 27
Continente sconosciuto - Info sul continente non disponibili 15
Totale 36.496
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Nazione #
US - Stati Uniti d'America 15.264
RU - Federazione Russa 2.756
SG - Singapore 2.685
IT - Italia 2.401
CN - Cina 2.050
BR - Brasile 1.148
KR - Corea 1.045
IE - Irlanda 1.006
SE - Svezia 891
VN - Vietnam 816
TR - Turchia 619
HK - Hong Kong 588
DE - Germania 535
UA - Ucraina 433
GB - Regno Unito 377
FR - Francia 346
BD - Bangladesh 315
IN - India 280
FI - Finlandia 209
CA - Canada 163
AT - Austria 138
ID - Indonesia 135
AR - Argentina 131
IQ - Iraq 119
JP - Giappone 110
PK - Pakistan 106
MX - Messico 99
ZA - Sudafrica 83
ES - Italia 82
NL - Olanda 82
CO - Colombia 81
BE - Belgio 72
PL - Polonia 64
VE - Venezuela 63
SA - Arabia Saudita 61
EC - Ecuador 56
CL - Cile 48
PH - Filippine 47
MY - Malesia 44
CH - Svizzera 42
JO - Giordania 37
MA - Marocco 36
NO - Norvegia 36
UZ - Uzbekistan 33
EG - Egitto 31
TN - Tunisia 28
KE - Kenya 27
DK - Danimarca 22
LT - Lituania 22
PY - Paraguay 21
AE - Emirati Arabi Uniti 19
AU - Australia 19
CZ - Repubblica Ceca 18
NP - Nepal 18
DZ - Algeria 17
ET - Etiopia 17
OM - Oman 17
AL - Albania 15
AZ - Azerbaigian 15
IL - Israele 15
IR - Iran 15
LU - Lussemburgo 14
PE - Perù 14
PS - Palestinian Territory 14
TT - Trinidad e Tobago 12
BG - Bulgaria 11
RO - Romania 11
RS - Serbia 11
TW - Taiwan 11
BO - Bolivia 10
UY - Uruguay 10
CR - Costa Rica 9
DO - Repubblica Dominicana 9
EU - Europa 9
KZ - Kazakistan 9
PT - Portogallo 9
BH - Bahrain 8
HN - Honduras 8
HU - Ungheria 8
JM - Giamaica 8
PA - Panama 8
TH - Thailandia 8
LB - Libano 7
MD - Moldavia 7
NG - Nigeria 7
BA - Bosnia-Erzegovina 6
GR - Grecia 6
HR - Croazia 6
KG - Kirghizistan 6
KW - Kuwait 6
LY - Libia 6
NZ - Nuova Zelanda 6
SN - Senegal 6
AO - Angola 5
BB - Barbados 5
GE - Georgia 5
BY - Bielorussia 4
CI - Costa d'Avorio 4
LV - Lettonia 4
MN - Mongolia 4
Totale 36.379
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Città #
Ashburn 1.976
Dallas 1.556
Singapore 1.525
San Jose 1.254
Chandler 1.198
Seoul 1.039
Dublin 998
Pisa 997
Jacksonville 952
Moscow 782
Boardman 753
Council Bluffs 728
Hong Kong 515
New York 422
Izmir 400
Los Angeles 384
Hefei 364
Ann Arbor 302
The Dalles 302
Wilmington 275
Ho Chi Minh City 254
Clifton 252
Beijing 245
Boston 236
Millbury 207
Hanoi 192
Kent 178
Santa Clara 167
Milan 164
Lauterbourg 156
Chicago 153
Istanbul 153
Scuola 150
Mestre 143
Lawrence 132
San Mateo 130
Vienna 126
Washington 118
Ogden 112
São Paulo 106
Columbus 101
Tokyo 95
Munich 88
Düsseldorf 83
Jakarta 83
Woodbridge 80
Orem 79
Buffalo 76
Guangzhou 74
North Bergen 74
Marseille 71
Helsinki 57
Rome 57
San Giuliano Terme 57
Seattle 57
Shanghai 57
Bremen 56
Warsaw 56
Brooklyn 55
Montreal 55
Frankfurt am Main 54
Johannesburg 53
Voghera 53
Baghdad 51
Brussels 50
Da Nang 49
Salt Lake City 47
Amsterdam 45
Chennai 45
Houston 45
Mumbai 41
Stockholm 41
London 40
Atlanta 38
Lahore 38
Mexico City 37
Haiphong 35
Toronto 35
Dong Ket 34
Manchester 33
Poplar 33
San Francisco 33
Turku 33
Denver 32
Rio de Janeiro 32
Amman 31
Belo Horizonte 30
Florence 30
Tashkent 30
Phoenix 29
San Paolo di Civitate 29
Norwalk 28
Fairfield 27
Wuhan 27
Bologna 26
Ankara 24
Jeddah 24
Berlin 23
Nairobi 23
Trondheim 23
Totale 22.938
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Nome #
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 421
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches 353
A 4,4′-bis(2-benzoxazolyl)stilbene luminescent probe: Assessment of aggregate formation through photophysics experiments and quantum-chemical calculations 330
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: the QM/FQFμ model 323
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution 319
A polarizable three-layer frozen density embedding/molecular mechanics approach 319
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane 313
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution 299
The Amsterdam Modeling Suite 295
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 294
Calculation of Molecular Properties in Solution 294
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles 292
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated 292
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution 291
Multiscale Modeling of Surface Enhanced Fluorescence 290
Composti particolarmente catalizzatori di poliuretani 287
A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions 287
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 287
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures? 285
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 283
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions 281
Evaluation of Hyperpolarizability from the Solvatochromic Method: Thiophene Containing Push–Pull Cationic Dyes as a Case Study 281
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation 280
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures 278
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems 273
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation? 269
Stereoelectronic, Vibrational, and Environmental Contributions to Polarizabilities of Large Molecular Systems: A Feasible Anharmonic Protocol 267
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes 267
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 266
A quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids 266
Absorption spectra of xanthines in aqueous solution: A computational study 266
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions 259
On the nature of charge-transfer excitations for molecules in aqueous solution: a polarizable QM/MM study 257
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects 257
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds 257
Absorption spectra in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 254
A molecular twist on hydrophobicity 254
Multilevel Density Functional Theory 253
NACYLUREA COMPOUNDS FOR PREPARING POLYURETHANES 252
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach 250
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 249
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 248
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling 247
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution 246
Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles 246
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian 244
Cavity Field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3- Methyl-cyclopentanone 242
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 242
The Optical Rotation of Methyloxirane in Aqueous Solution: A Never Ending Story? 240
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles : Linear and corrected linear response regimes 240
A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol 239
Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts 238
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 238
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems 233
Understanding the Structural and Binding Properties of Collagen: a Theoretical Perspective 231
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005) 231
Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution 231
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 226
Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts 226
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case 225
Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study 224
The Electric Field Morphology of Plasmonic Picocavities 221
Linear response theory and electronic transition energies for a fully polarizable QM/Classical Hamiltonian 220
Duschinsky, Herzberg–Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene 219
Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches 214
Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect 213
Properties and Spectroscopies 212
Binding of SARS-CoV-2 to cell receptors: a tale of molecular evolution 210
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures 209
Solvent effects on vibrational modes: ab initio calculation, scaling and solvent functions with applications to the carbonyl stretch of dialkyl ketones 207
Implementation and validation of a multi-purpose virtual spectrophotometer for large systems in complex environments 207
Origin invariance in vibrational resonance Raman optical activity 206
Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase (vol 122, artn no 234314, 2005) 205
Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study 205
An integrated computational tool to model the broadening of absorption bands of flexible dyes in solution: cationic chromophores as test cases 203
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects 202
Deciphering the structure of deep eutectic solvents: A computational study from the solute's viewpoint 201
Investigation of electronic energy transfer in a BODIPY-decorated calix[4]arene 201
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores 199
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model 199
In silico design of graphene plasmonic hot-spots 199
Density functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase 198
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies 198
Mixed atomistic–implicit quantum/classical approach to molecular nanoplasmonics 197
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges 197
On the calculation of infrared intensities in solution within the Polarizable Continuum Model 194
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case 194
POLY 606-A Molecular Dynamics Approach to the Supramolecular Structure of Collagen and Related Binding Properties 193
Second-order Møller Plesset second derivatives for the Polarizable Continuum Model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 192
The infrared and vibrational circular dichroism spectra of (S)proline in water: an ab initio study 191
Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems 189
Combining theory and experiment to study the photo-oxidation of polyethylene and polypropylene 188
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces 188
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 187
Molecular spectroscopy of aqueous solutions: a theoretical perspective 186
David Bishop approach to vibrational dynamic contributions to molecular properties. Application to Jones and Magnetoelectric birefringences in diatomic molecules 185
The Electronic Circular Dichroism of Nicotine in Aqueous Solution: a Test Case for Continuum and Explicit-Continuum approaches 185
Dissecting Bonding Interactions in Cysteine Dimers 184
Integrated QM/polarizable MM/continuum approaches to model chiroptical properties of strongly interacting solute-solvent systems 184
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution 183
Totale 24.192
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Categoria #
all - tutte 166.148
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 166.148
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/20221.350 83 15 8 65 115 29 36 95 90 156 33 625
2022/20235.114 317 422 252 409 348 463 24 1.144 1.459 36 118 122
2023/20242.006 145 61 197 51 112 545 102 97 186 100 30 380
2024/20256.379 261 140 291 431 858 167 226 289 1.291 440 889 1.096
2025/202617.576 1.098 1.239 2.303 1.796 1.444 901 2.581 1.106 2.464 1.264 837 543
2026/2027465 465 0 0 0 0 0 0 0 0 0 0 0
Totale 37.100