CINECA IRIS Institutional Research Information System

MENNUCCI, BENEDETTA
 Distribuzione geografica
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Continente #
NA - Nord America 25.710
AS - Asia 10.358
EU - Europa 7.353
SA - Sud America 1.757
AF - Africa 316
OC - Oceania 28
Continente sconosciuto - Info sul continente non disponibili 8
Totale 45.530
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Nazione #
US - Stati Uniti d'America 25.056
SG - Singapore 3.188
CN - Cina 3.098
IT - Italia 2.536
HK - Hong Kong 2.036
BR - Brasile 1.505
SE - Svezia 1.046
BG - Bulgaria 851
DE - Germania 664
VN - Vietnam 610
CA - Canada 528
TR - Turchia 417
RU - Federazione Russa 397
UA - Ucraina 369
GB - Regno Unito 357
FI - Finlandia 341
KR - Corea 249
IN - India 213
FR - Francia 185
CH - Svizzera 144
BE - Belgio 126
SN - Senegal 123
AR - Argentina 96
JP - Giappone 96
NL - Olanda 95
AT - Austria 75
BD - Bangladesh 68
MX - Messico 60
IQ - Iraq 54
ID - Indonesia 48
EC - Ecuador 43
ZA - Sudafrica 43
PL - Polonia 36
VE - Venezuela 33
SA - Arabia Saudita 31
UZ - Uzbekistan 31
NG - Nigeria 30
PK - Pakistan 30
ES - Italia 28
IE - Irlanda 27
CO - Colombia 26
CI - Costa d'Avorio 24
KE - Kenya 21
EG - Egitto 20
AE - Emirati Arabi Uniti 18
AU - Australia 18
JO - Giordania 17
CZ - Repubblica Ceca 16
JM - Giamaica 14
MA - Marocco 14
PY - Paraguay 14
CL - Cile 13
AZ - Azerbaigian 11
IL - Israele 11
KZ - Kazakistan 11
NP - Nepal 11
OM - Oman 11
PE - Perù 11
PH - Filippine 11
TN - Tunisia 11
BH - Bahrain 10
TW - Taiwan 10
IR - Iran 9
BO - Bolivia 8
EU - Europa 8
KG - Kirghizistan 8
NZ - Nuova Zelanda 8
TT - Trinidad e Tobago 8
BB - Barbados 7
BJ - Benin 7
KW - Kuwait 7
MY - Malesia 7
RO - Romania 7
DO - Repubblica Dominicana 6
LB - Libano 6
LU - Lussemburgo 6
PA - Panama 6
UY - Uruguay 6
CR - Costa Rica 5
DZ - Algeria 5
HN - Honduras 5
MD - Moldavia 5
NI - Nicaragua 5
TH - Thailandia 5
BN - Brunei Darussalam 4
DK - Danimarca 4
ET - Etiopia 4
LK - Sri Lanka 4
PT - Portogallo 4
SY - Repubblica araba siriana 4
AL - Albania 3
AO - Angola 3
BA - Bosnia-Erzegovina 3
BY - Bielorussia 3
GR - Grecia 3
HR - Croazia 3
LV - Lettonia 3
LY - Libia 3
QA - Qatar 3
SK - Slovacchia (Repubblica Slovacca) 3
Totale 45.484
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Città #
Woodbridge 3.057
Fairfield 2.626
Ashburn 2.432
Hong Kong 2.020
Ann Arbor 1.949
Houston 1.807
Singapore 1.655
Chandler 1.368
Santa Clara 1.355
Dallas 1.150
Seattle 1.124
Wilmington 938
Cambridge 892
Sofia 846
Milan 815
Shanghai 716
Beijing 647
New York 552
Jacksonville 479
Ottawa 459
Princeton 423
Boardman 392
Serra 387
Lawrence 335
Medford 299
Hefei 298
Nanjing 280
Los Angeles 271
Izmir 260
Seoul 243
Des Moines 186
Council Bluffs 166
Columbus 156
Bern 133
The Dalles 133
Buffalo 128
Redondo Beach 127
San Diego 127
Dakar 123
Istanbul 122
Dong Ket 120
São Paulo 116
Ho Chi Minh City 111
Nanchang 111
Dearborn 107
Pisa 103
Livorno 102
Munich 92
Rome 92
Jüchen 85
Tokyo 76
Shenyang 74
Bremen 72
Hanoi 66
Florence 64
Kunming 62
Boulder 60
Ogden 60
Kraainem 59
Marseille 59
Frankfurt am Main 56
Brussels 55
Vienna 55
London 54
Redwood City 54
Falls Church 52
Norwalk 52
Rio de Janeiro 52
Pune 51
Changsha 42
Amsterdam 41
Guangzhou 41
Belo Horizonte 40
Hebei 39
Tianjin 38
Turku 35
Jiaxing 34
Hangzhou 32
Vicopisano 30
Brasília 27
San Francisco 27
Tashkent 27
Curitiba 26
Lagos 26
Nuremberg 26
San Jose 26
Fuzhou 25
Warsaw 25
Abidjan 24
Chicago 24
Jakarta 24
Lappeenranta 24
Dublin 23
Indiana 23
Auburn Hills 22
Dhaka 22
Washington 21
Helsinki 20
Mexico City 20
Nairobi 20
Totale 34.522
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Nome #
Binding of model polycyclic aromatic hydrocarbons and carbamate-pesticides to DNA, BSA, micelles and liposomes 250
A Strategy for the Study of the Interactions between Metal-Dyes and Proteins with QM/MM Approaches: the Case of Iron-Gall Dye 233
Quantum-mechanical and spectral studies on the Thiazole Orange (TO) fluorophore: dimerisation and DNA intercalation 216
The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein 207
Efficient photoinduced charge separation in a BODIPY-C60 dyad 203
Does Förster theory predict the rate of electronic energy transfer for a model dyad at low temperature? 197
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 196
Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad 195
Properties of excited states of molecules in solution described with continuum solvation models 193
13C Chemical Shielding Tensors: A Combined Solid-State NMR and DFT Study of the Role of Small-Amplitude Motions 192
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model 192
Theoretical Investigation of the Mechanism and Dynamics of Intramolecular Coherent Resonance Energy Transfer in Soft Molecules: A Case Study of Dithia-anthracenophane 191
Single-chain self-folding in an amphiphilic copolymer: An integrated experimental and computational study 191
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation 191
Towards an ab initio description of the optical spectra of light-harvesting antennae: application to the CP29 complex of photosystem II 190
Cavity field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3-Methylcyclopentanone 188
Towards the elaboration of a QM method to describe molecular solutes under the effect of a very high pressure 187
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645 187
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling 187
Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles 187
Solvation models for molecular properties: continuum versus discrete approaches 185
A quantum mechanical strategy to investigate the structure of liquids: the cases of acetonitrile, formamide and their mixture 183
Fluorescence Enhancement of Chromophores Close to Metal Nanoparticles. Optimal Setup Revealed by the Polarizable Continuum Model 180
A Theoretical Model of Solvation in Contin- uum Anisotropic Dielectrics 177
Time dependent solvation: a new frontier for quantum mechanical continuum models 176
Polarizable continuum model, 176
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: Macroscopic susceptibilities in solution 175
Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model 174
Cavity Field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3- Methyl-cyclopentanone 174
Quantum-mechanical continuum solvation study of the polarizability of halides at the water/air interface 173
Thiazole Orange as a light-switch probe: a combined quantum-mechanical and spectroscopic study 173
How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media 173
Cavitation and Electrostatic Free Energy for Molecular Solutes in Liquid Crystals 172
Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation 172
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States 172
EXAT: EXcitonic analysis tool 172
On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling” 171
Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects? 171
An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence 171
Solvation of Coumarin 153 in Supercritical Fluoroform 170
Theoretical study of the SN2 reaction of Cl-(H2O)+CH3Cl using the ONIOM-PCM method 169
How to model Solvent Effects on molecular properties using Quantum Chemistry? Insights from Polarizable Discrete or Continuum Solvation Models 169
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model 169
An investigation of the photophysical properties of minor groove bound and intercalated DAPI through quantum-mechanical and spectroscopic tools 168
Response of scalar fields and hydrogen bonding to excited-state molecular solvation of carbonyl compounds 167
Conformations of Banana-Shaped Molecules Studied by ²H NMR Spectroscopy in Liquid Crystalline Solvents 166
What is solvatochromism? 166
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? 165
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 164
Electronic excitation energies of molecules in solution: State specific and linear response methods for non-equilibrium continuum solvation models 164
Polarity-Sensitive Fluorescent Probes in Lipid Bilayers: Bridging Spectroscopic Behavior and Microenvironment Properties 163
A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model 163
Electron Transfer in a Radical Ion Pair: Quantum Calculations of the Solvent Reorganization Energy 162
Towards a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric Systems. II. The Through-Bond Contribution 162
Solvent effects on nuclear shieldings: continuum or discrete solvation models to treat hydrogen bond and polarity effects? 162
Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT 162
Quantum Chemical Studies of Light Harvesting 162
Excited-State Gradients in Polarizable QM/MM Models: An Induced Dipole Formulation 162
Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models 161
The Optical Rotation of Glucose Prototypes: A Local or a Global Property? 159
How solvent controls electronic energy transfer and light harvesting 159
Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein 158
Freezing of Molecular Motions Probed by Cryogenic Magic Angle Spinning NMR 158
Can we control the electronic energy transfer in molecular dyads through metal nanoparticles? A QM/continuum investigation 157
The Correction of Cavity Induced Errors in the Polarization Charges of Continuum Solvation Models 155
Nonsymmetric bent-core liquid crystals based on a 1,3,4-thiadiazole core unit and their nematic mesomorphism 155
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores 155
On the effect of Pauli repulsion and dispersion on static molecular polarizabilities and hyperpolarizabilities in solution 155
Synthesis, Chiroptical Properties and Density Functional Theory Calculations of 3,3'-Biphenyl-2,2'-BiTropone 155
Quantum Mechanical Approach to Solvent Effects on the Optical Properties of Metal Nanoparticles and Their Efficiency As Excitation Energy Transfer Acceptors 154
Electronic excitation energies in solution at equation of motion CCSD level within a state specific polarizable continuum model approach 154
Excited-state calculations with TDDFT: from benchmarks to simulations in complex environments 154
Nuclear magnetic shieldings in solution: gauge invariant atomic orbital calculation using the polarizable continuum model 154
Ab-initio model to predict NMR shielding tensors for solutes in liquid crystals 153
DFT calculations of deuterium quadrupolar tensor in crystal anthracene 153
On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor 153
Ab Initio Calculation of ¹7O-NMR Chemical Shifts for Water. The Limits of PCM Theory and the Role of Hydrogen Bond Geometry and Cooperativity 152
Surface-Enhanced Fluorescence within a Metal Nanoparticle Array: The Role of Solvent and Plasmon Couplings 152
Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling 152
The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes 152
Excited-State Decay Pathways of Molecular Rotors: Twisted Intermediate or Conical Intersection? 152
A Balanced TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes 150
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 150
Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation 150
Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays 150
Plasmon-Controlled Light-Harvesting: Design Rules for Biohybrid Devices via Multiscale Modeling 150
A time-dependent Polarizable Continuum Model: theory and application 149
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems 149
A synthetic oxygen sensor for plants based on animal hypoxia signalling 149
MP2 second derivatives for the Polarizable Continuum Model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 148
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 148
Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description 148
Nonequilibrium formulation of infrared frequencies and intensities in solution: analytical evaluation within the Polarizable Continuum Model 147
A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics, 147
Using Molecular Dynamics and Quantum Mechanics Calculations To Model Fluorescence Observables 146
The role of the environment in electronic energy transfer: a molecular modeling perspective 146
Dispersion and Repulsion Contributions to the Solvation Free Energy: Comparison of Quantum Mechanical and Classical Approaches in the Polarizable Continuum Model 146
A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations 146
Fluorescent dyes in the context of DNA-binding: The case of Thioflavin T 146
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings 146
Totale 16.801
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Categoria #
all - tutte 132.333
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 132.333
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.966 0 0 0 0 0 173 184 251 390 280 271 417
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
2025/20266.469 773 1.579 1.361 837 1.015 904 0 0 0 0 0 0
Totale 46.076