CINECA IRIS Institutional Research Information System

MENNUCCI, BENEDETTA
 Distribuzione geografica
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Continente #
NA - Nord America 27.280
AS - Asia 12.035
EU - Europa 7.931
SA - Sud America 1.939
AF - Africa 380
OC - Oceania 31
Continente sconosciuto - Info sul continente non disponibili 9
Totale 49.605
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Nazione #
US - Stati Uniti d'America 26.564
SG - Singapore 3.708
CN - Cina 3.246
IT - Italia 2.592
HK - Hong Kong 2.098
BR - Brasile 1.609
VN - Vietnam 1.159
SE - Svezia 1.047
BG - Bulgaria 851
DE - Germania 701
CA - Canada 553
FR - Francia 522
TR - Turchia 441
RU - Federazione Russa 403
GB - Regno Unito 392
UA - Ucraina 378
FI - Finlandia 369
IN - India 265
KR - Corea 254
JP - Giappone 190
CH - Svizzera 155
BE - Belgio 127
SN - Senegal 125
AR - Argentina 117
NL - Olanda 113
BD - Bangladesh 97
IQ - Iraq 92
AT - Austria 80
MX - Messico 78
ID - Indonesia 58
EC - Ecuador 53
ZA - Sudafrica 53
SA - Arabia Saudita 50
UZ - Uzbekistan 47
PK - Pakistan 46
PL - Polonia 41
VE - Venezuela 40
CO - Colombia 38
ES - Italia 37
NG - Nigeria 31
IE - Irlanda 29
KE - Kenya 28
PH - Filippine 28
TW - Taiwan 28
CL - Cile 27
EG - Egitto 27
MA - Marocco 27
JO - Giordania 25
CI - Costa d'Avorio 24
CZ - Repubblica Ceca 22
AE - Emirati Arabi Uniti 21
AU - Australia 19
NP - Nepal 19
JM - Giamaica 18
MY - Malesia 18
PY - Paraguay 18
TN - Tunisia 17
OM - Oman 15
DZ - Algeria 13
IL - Israele 13
PE - Perù 13
BH - Bahrain 12
BO - Bolivia 12
KZ - Kazakistan 12
AZ - Azerbaigian 11
TH - Thailandia 11
CR - Costa Rica 9
HN - Honduras 9
IR - Iran 9
KG - Kirghizistan 9
KW - Kuwait 9
NZ - Nuova Zelanda 9
RO - Romania 9
TT - Trinidad e Tobago 9
DO - Repubblica Dominicana 8
EU - Europa 8
LB - Libano 8
BB - Barbados 7
BJ - Benin 7
ET - Etiopia 7
NI - Nicaragua 7
PA - Panama 7
UY - Uruguay 7
LU - Lussemburgo 6
MD - Moldavia 6
PS - Palestinian Territory 6
AL - Albania 5
PT - Portogallo 5
AO - Angola 4
BA - Bosnia-Erzegovina 4
BN - Brunei Darussalam 4
DK - Danimarca 4
GE - Georgia 4
GR - Grecia 4
HR - Croazia 4
LK - Sri Lanka 4
LY - Libia 4
QA - Qatar 4
SY - Repubblica araba siriana 4
AM - Armenia 3
Totale 49.540
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Città #
Woodbridge 3.057
Fairfield 2.626
Ashburn 2.566
Hong Kong 2.072
Singapore 2.044
Ann Arbor 1.949
Houston 1.807
Chandler 1.368
Santa Clara 1.367
Dallas 1.154
Seattle 1.124
San Jose 1.030
Wilmington 938
Cambridge 893
Sofia 846
Milan 820
Shanghai 718
Beijing 659
New York 555
Jacksonville 480
Ottawa 459
Princeton 423
Boardman 394
Serra 387
Lawrence 335
Ho Chi Minh City 300
Lauterbourg 299
Medford 299
Hefei 298
Los Angeles 283
Nanjing 280
Izmir 266
Council Bluffs 256
Seoul 243
Hanoi 196
Des Moines 189
Tokyo 162
Columbus 161
The Dalles 134
Bern 133
Buffalo 130
Redondo Beach 127
San Diego 127
Dakar 124
Istanbul 123
São Paulo 123
Dong Ket 120
Pisa 113
Nanchang 111
Dearborn 107
Livorno 102
Rome 93
Munich 92
Jüchen 85
Frankfurt am Main 74
Shenyang 74
Bremen 72
Florence 67
Kunming 62
Boulder 60
Marseille 60
Ogden 60
Kraainem 59
Vienna 59
London 57
Brussels 55
Redwood City 54
Rio de Janeiro 54
Falls Church 52
Norwalk 52
Pune 52
Amsterdam 51
Helsinki 46
Guangzhou 43
Changsha 42
Tashkent 41
Belo Horizonte 40
Tianjin 40
Hebei 39
Haiphong 37
Turku 35
Jiaxing 34
Orem 34
Hangzhou 33
Da Nang 32
Chicago 31
Washington 31
Baghdad 30
Nuremberg 30
Vicopisano 30
Brasília 29
San Francisco 28
Warsaw 28
Curitiba 27
Lagos 27
Nairobi 27
Lappeenranta 26
Fuzhou 25
Jakarta 25
Abidjan 24
Totale 37.135
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Nome #
Binding of model polycyclic aromatic hydrocarbons and carbamate-pesticides to DNA, BSA, micelles and liposomes 276
A Strategy for the Study of the Interactions between Metal-Dyes and Proteins with QM/MM Approaches: the Case of Iron-Gall Dye 244
Quantum-mechanical and spectral studies on the Thiazole Orange (TO) fluorophore: dimerisation and DNA intercalation 234
Efficient photoinduced charge separation in a BODIPY-C60 dyad 225
The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein 223
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation 217
Single-chain self-folding in an amphiphilic copolymer: An integrated experimental and computational study 215
Multiconfigurational self-consistent field linear response for the Polarizable Continuum Model: Theory and application to ground and excited-state polarizabilities of para-nitroaniline in solution 209
Properties of excited states of molecules in solution described with continuum solvation models 207
Towards an ab initio description of the optical spectra of light-harvesting antennae: application to the CP29 complex of photosystem II 206
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling 206
Does Förster theory predict the rate of electronic energy transfer for a model dyad at low temperature? 205
Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad 205
Theoretical Investigation of the Mechanism and Dynamics of Intramolecular Coherent Resonance Energy Transfer in Soft Molecules: A Case Study of Dithia-anthracenophane 203
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? 201
13C Chemical Shielding Tensors: A Combined Solid-State NMR and DFT Study of the Role of Small-Amplitude Motions 199
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model 199
Solvation models for molecular properties: continuum versus discrete approaches 196
A quantum mechanical strategy to investigate the structure of liquids: the cases of acetonitrile, formamide and their mixture 195
Cavity field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3-Methylcyclopentanone 195
Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure 194
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645 194
EXAT: EXcitonic analysis tool 194
Thiazole Orange as a light-switch probe: a combined quantum-mechanical and spectroscopic study 192
Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles 192
Polarizable continuum model, 191
An investigation of the photophysical properties of minor groove bound and intercalated DAPI through quantum-mechanical and spectroscopic tools 191
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: Macroscopic susceptibilities in solution 190
Fluorescence Enhancement of Chromophores Close to Metal Nanoparticles. Optimal Setup Revealed by the Polarizable Continuum Model 189
Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation 186
A Theoretical Model of Solvation in Contin- uum Anisotropic Dielectrics 185
Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model 184
Cavitation and Electrostatic Free Energy for Molecular Solutes in Liquid Crystals 183
Theoretical study of the SN2 reaction of Cl-(H2O)+CH3Cl using the ONIOM-PCM method 183
Time dependent solvation: a new frontier for quantum mechanical continuum models 183
On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling” 183
An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence 183
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States 182
How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media 182
How to model Solvent Effects on molecular properties using Quantum Chemistry? Insights from Polarizable Discrete or Continuum Solvation Models 181
Quantum-mechanical continuum solvation study of the polarizability of halides at the water/air interface 180
Solvation of Coumarin 153 in Supercritical Fluoroform 180
What is solvatochromism? 180
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model 180
Freezing of Molecular Motions Probed by Cryogenic Magic Angle Spinning NMR 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 180
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants 177
Solvent effects on nuclear shieldings: continuum or discrete solvation models to treat hydrogen bond and polarity effects? 177
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects? 177
Response of scalar fields and hydrogen bonding to excited-state molecular solvation of carbonyl compounds 176
Towards a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric Systems. II. The Through-Bond Contribution 175
Electronic excitation energies of molecules in solution: State specific and linear response methods for non-equilibrium continuum solvation models 174
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems 174
Conformations of Banana-Shaped Molecules Studied by ²H NMR Spectroscopy in Liquid Crystalline Solvents 173
Electron Transfer in a Radical Ion Pair: Quantum Calculations of the Solvent Reorganization Energy 172
Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT 172
A synthetic oxygen sensor for plants based on animal hypoxia signalling 172
The Optical Rotation of Glucose Prototypes: A Local or a Global Property? 171
Polarity-Sensitive Fluorescent Probes in Lipid Bilayers: Bridging Spectroscopic Behavior and Microenvironment Properties 171
Excited-State Gradients in Polarizable QM/MM Models: An Induced Dipole Formulation 171
Evaluation of Solvent Eects in Isotropic and Anisotropic Dielectrics, and in Ionic Solutions with a Unified Integral Equation Method: Theoretical Bases, Computational Implementation and Numerical Applications 169
Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models 169
Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein 169
The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level 169
The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol 168
How solvent controls electronic energy transfer and light harvesting 168
Quantum Chemical Studies of Light Harvesting 168
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 168
Excited-state calculations with TDDFT: from benchmarks to simulations in complex environments 166
Can we control the electronic energy transfer in molecular dyads through metal nanoparticles? A QM/continuum investigation 166
Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation 166
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings 166
Ab Initio Calculation of ¹7O-NMR Chemical Shifts for Water. The Limits of PCM Theory and the Role of Hydrogen Bond Geometry and Cooperativity 165
DFT calculations of deuterium quadrupolar tensor in crystal anthracene 165
Synthesis, Chiroptical Properties and Density Functional Theory Calculations of 3,3'-Biphenyl-2,2'-BiTropone 165
On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor 165
The Correction of Cavity Induced Errors in the Polarization Charges of Continuum Solvation Models 164
On the TD-DFT Accuracy in Determining Single and Double Bonds in Excited-State Structures of Organic Molecules 164
Quantum Mechanical Approach to Solvent Effects on the Optical Properties of Metal Nanoparticles and Their Efficiency As Excitation Energy Transfer Acceptors 164
Nonsymmetric bent-core liquid crystals based on a 1,3,4-thiadiazole core unit and their nematic mesomorphism 164
Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays 164
Ab-initio model to predict NMR shielding tensors for solutes in liquid crystals 163
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores 163
Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach 162
Using Molecular Dynamics and Quantum Mechanics Calculations To Model Fluorescence Observables 162
Nuclear magnetic shieldings in solution: gauge invariant atomic orbital calculation using the polarizable continuum model 162
A time-dependent Polarizable Continuum Model: theory and application 162
Dispersion and Repulsion Contributions to the Solvation Free Energy: Comparison of Quantum Mechanical and Classical Approaches in the Polarizable Continuum Model 162
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles 161
Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling 161
Surface-Enhanced Fluorescence within a Metal Nanoparticle Array: The Role of Solvent and Plasmon Couplings 160
On the effect of Pauli repulsion and dispersion on static molecular polarizabilities and hyperpolarizabilities in solution 160
Plasmon-Controlled Light-Harvesting: Design Rules for Biohybrid Devices via Multiscale Modeling 160
A Balanced TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes 159
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 159
The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes 159
A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics, 159
Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria 159
Perspective: Polarizable continuum models for quantum-mechanical descriptions 158
MP2 second derivatives for the Polarizable Continuum Model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 157
Totale 18.054
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Categoria #
all - tutte 140.033
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 140.033
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021968 0 0 0 0 0 0 0 0 0 280 271 417
2021/20223.628 44 145 85 216 711 551 91 151 224 105 199 1.106
2022/20233.497 475 335 223 356 454 489 15 300 603 14 195 38
2023/20243.279 397 371 350 247 558 606 55 118 56 83 117 321
2024/202510.341 25 475 46 531 1.026 1.114 919 685 1.043 1.355 1.073 2.049
2025/202610.552 773 1.579 1.361 837 1.015 953 1.726 534 609 1.165 0 0
Totale 50.159