CRIS Current Research Information System

GARAVELLI, MARCO
 Distribuzione geografica
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Continente #
NA - Nord America 10.914
EU - Europa 9.826
AS - Asia 9.287
SA - Sud America 516
AF - Africa 352
OC - Oceania 14
Continente sconosciuto - Info sul continente non disponibili 3
AN - Antartide 1
Totale 30.913
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Nazione #
US - Stati Uniti d'America 10.807
CN - Cina 2.917
SG - Singapore 2.852
DE - Germania 2.818
IT - Italia 1.933
GB - Regno Unito 1.606
VN - Vietnam 1.493
HK - Hong Kong 764
SE - Svezia 705
IN - India 457
RU - Federazione Russa 409
UA - Ucraina 382
FR - Francia 380
BR - Brasile 364
IE - Irlanda 338
KR - Corea 302
NL - Olanda 255
FI - Finlandia 196
JO - Giordania 156
ZA - Sudafrica 142
EE - Estonia 130
JP - Giappone 117
BE - Belgio 113
AT - Austria 109
BG - Bulgaria 101
TG - Togo 87
ES - Italia 75
PL - Polonia 72
CA - Canada 64
AR - Argentina 63
ID - Indonesia 62
CH - Svizzera 51
CI - Costa d'Avorio 44
DK - Danimarca 43
SC - Seychelles 41
EC - Ecuador 31
TR - Turchia 30
MX - Messico 28
PK - Pakistan 22
CL - Cile 19
IR - Iran 19
BD - Bangladesh 17
GR - Grecia 17
HR - Croazia 17
CZ - Repubblica Ceca 16
CO - Colombia 15
LT - Lituania 15
AU - Australia 13
EG - Egitto 13
IQ - Iraq 12
LB - Libano 11
RO - Romania 11
TW - Taiwan 10
NO - Norvegia 7
PT - Portogallo 7
PY - Paraguay 7
VE - Venezuela 7
MA - Marocco 6
PH - Filippine 6
SI - Slovenia 6
UY - Uruguay 6
MY - Malesia 5
DO - Repubblica Dominicana 4
PR - Porto Rico 4
TH - Thailandia 4
UZ - Uzbekistan 4
AE - Emirati Arabi Uniti 3
AZ - Azerbaigian 3
DZ - Algeria 3
EU - Europa 3
KZ - Kazakistan 3
MN - Mongolia 3
PE - Perù 3
RS - Serbia 3
SA - Arabia Saudita 3
AO - Angola 2
HN - Honduras 2
HU - Ungheria 2
IL - Israele 2
LA - Repubblica Popolare Democratica del Laos 2
NG - Nigeria 2
SN - Senegal 2
TN - Tunisia 2
ZM - Zambia 2
AL - Albania 1
AM - Armenia 1
AQ - Antartide 1
BO - Bolivia 1
BY - Bielorussia 1
CR - Costa Rica 1
CV - Capo Verde 1
CY - Cipro 1
ET - Etiopia 1
GA - Gabon 1
GE - Georgia 1
GH - Ghana 1
GI - Gibilterra 1
GT - Guatemala 1
IM - Isola di Man 1
JM - Giamaica 1
Totale 30.898
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Città #
Singapore 1.883
Frankfurt am Main 1.760
Southend 1.345
Fairfield 1.230
Ashburn 1.006
Hong Kong 759
Hefei 739
Santa Clara 726
Woodbridge 621
Seattle 604
Bologna 585
Chandler 578
Houston 565
Wilmington 510
Cambridge 431
Princeton 387
Ann Arbor 377
Dublin 338
Beijing 332
Ho Chi Minh City 312
Dong Ket 307
Boardman 297
Seoul 277
Dallas 251
Hanoi 251
Jacksonville 223
Milan 162
Amman 156
Westminster 146
Los Angeles 145
Nanjing 145
Berlin 128
Padova 120
Redmond 118
Helsinki 101
Sofia 99
Buffalo 98
Tokyo 98
Jinan 91
Brussels 89
Lomé 87
San Diego 87
Lappeenranta 86
Saint Petersburg 86
Shenyang 81
Shanghai 79
Amsterdam 74
Bengaluru 74
Falkenstein 74
Kerkrade 72
Changsha 69
Guangzhou 68
Redondo Beach 68
Vienna 67
Turin 66
Forlì 59
Bremen 53
Des Moines 52
Hebei 51
New York 50
Cesena 48
Jakarta 48
São Paulo 48
Munich 47
Nuremberg 47
Tianjin 47
Abidjan 44
London 43
Chicago 41
Medford 41
Hangzhou 40
Mülheim 39
Nanchang 39
Secaucus 38
Düsseldorf 34
Jiaxing 34
Kyiv 34
Pisa 33
Falls Church 32
Haikou 31
Warsaw 31
Council Bluffs 30
Redwood City 28
Tourcoing 28
Yubileyny 28
Castel Maggiore 27
Norwalk 27
Paris 27
Phoenix 27
Zhengzhou 27
Bern 26
Olalla 25
Da Nang 24
Haiphong 24
Mahé 24
Stockholm 24
Biên Hòa 22
Hvidovre 22
Taiyuan 22
Fuzhou 21
Totale 21.115
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Nome #
Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct 629
Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine-Cytosine Stacked Dimers: A Quantum Dynamical Investigation 568
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes 546
Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization 370
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide 370
Hybrid QM/MM Approach for the Calculation of Excited States in Complex Environments 287
Multidimensional Potential Energy Surfaces Resolved at the RASPT2 Level for Accurate Photoinduced Isomerization Dynamics of Azobenzene 256
Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics 249
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol 246
Tailored Coumarin Dyes for Photoredox Catalysis: Calculation, Synthesis, and Electronic Properties 217
First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases 215
On the Mechanism of the cis-trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1 213
Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications 208
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level 201
Ab initio Investigation to Model Stilbene Photo-Physical Properties by Combining CC2 Topological Investigation and CASPT2 Energy Corrections 200
Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction 197
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations 197
IL RUOLO DELLA CHIMICA TEORICA NELLA FOTOFISICA E NELLA FOTOCHIMICA 194
A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization 193
Bimetallic Co-M (M = Cu, Ag, and Au) Carbonyl Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis, Structures, Computational Investigation, and Catalysis for Ammonia Borane Dehydrogenation 187
Reconciling TD‐DFT and CASPT2 electronic structure methods for describing the photophysics of DNA 185
Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction 184
Substituent controlled spectroscopy and excited state topography of retinal chromophore models: fluorinated and methoxy-substituted protonated Schiff bases 180
Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model 178
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides 177
COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations 177
UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans -Azobenzene 176
Computation of photochemical reaction mechanisms in organic chemistry 175
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate 173
A Global Investigation of Excited State Surfaces within Time-Dependent Density-Functional Response Theory 173
Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates 172
A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils 171
Electron and ion spectroscopy of Azobenzene in the valence and core shells 170
Light driven molecular switches: exploring and tuning their photophysical and photochemical properties 170
Computational Organic Photochemistry: Strategy, Achievements and Perspectives 169
An ab initio Study of Decay Mechanism of Adenine: the Facile Path of the Amino NH Bond Cleavage 169
Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment 168
Photoisomerization Mechanism of 11-cis-Locked Artificial Retinal Chromophores: Acceleration and Primary Photoproduct Assignment 167
CASSCF/Amber parameterization of the Lys296-Retinal-Glu113 rhodopsin chromophore-counterion system 167
Fernando Bernardi Memorial Issue - Preface 166
Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation 165
Can Simple Enones Be Useful Partners for the Catalytic Stereoselective Alkylation of Indoles 165
Spectral Tuning and Photoisomerization Efficiency in Push-Pull Azobenzenes: Designing Principles 165
Deciphering Low Energy Deactivation Channels in Adenine 164
Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach 164
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction 164
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table 163
Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models 163
Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy 163
COBRAMM: A Tunable QM/MM Approach to Complex Molecular Architectures. Modelling the Excited and Ground State Properties of Sized Molecular Systems 162
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching. 162
Retinal Photoisomerization in Rhodopsin: Electrostatic and Steric Catalysis 162
QM/MM Photodynamics of Retinal in the Channelrhodopsin Chimera C1C2 with OM3/MRCI 160
Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins 159
Conical intersection dynamics of the primary photoisomerization event in vision 158
Intramolecular photo-induced charge transfer in visual retinal chromophore mimics: electron density-based indices at the TD-DFT and post-HF levels 158
UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level 158
Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The beta-Ionone "Handle" and Alkyl Group Effect 157
COBRAMM (part 2): an Overview on Some Computational Details; Geometry Optimization, Frequency Calculation, Analysis of the Results 157
Analysis of the vibronic structure of the: Trans -stilbene fluorescence and excitation spectra: The S0 and S1 PES along the CeCe and Ce-Cph torsions 157
The retinal chromophore/chloride ion-pair: Structure of the photoisomerization path and interplay of charge transfer and covalent states 156
Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model 156
Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level 156
Tracking excited state decay mechanisms of pyrimidine nucleosides in real time 156
About the Intrinsic Photochemical Properties of the 11-cis Retinal Chromophore: Computational Clues for a Trap State and a Lever Effect in Rhodopsin Catalysis 155
Computational Clues for a New Mechanism in the Glycosylase Activity of the Human DNA Repair Protein hOGG1. A Generalized Paradigm for Purine-Repairing Systems? 152
Cyclohexenylphenyldiazene: A Simple Surrogate of the Azobenzene Photochromic Unit 152
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes 152
Ultrafast spectroscopy of photoactive molecular systems from first principles: Where we stand today and where we are going 152
Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM 150
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state 150
Computational QM/MM Study of the Reaction Mechanism of Human Glutathione S-Transferase A3-3 150
The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations 150
Azobenzene cis-trans Photoisomerization Mechanism: Characterization of the Decay Ways from the Lowest pipi* Absorbing Singlet State 150
The Catalytic Activity of Diaminopimelate Epimerase: a QM/MM Study 149
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles 149
Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy 148
Ultrafast Carotenoid to Retinal Energy Transfer in Xanthorhodopsin Revealed by the Combination of Transient Absorption and Two-Dimensional Electronic Spectroscopy 148
Product Formation in Rhodopsin by Fast Hydrogen Motions 147
Converging many-body correlation energies by means of sequence extrapolation 147
Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study 147
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions 146
The Catalytic Activity of Proline Racemase: a QM/MM Study 146
COBRAMM (part 1): a Tunable QM/MM Approach to Chemical Reactivity, Structure and Physico-Chemical Properties Prediction 146
On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides 146
Observation of the Sub-100 Femtosecond Population of a Dark State in a Thiobase Mediating Intersystem Crossing 146
Computational DFT Investigation of Vicinal Amide Group Anchimeric Assistance in Ether Cleavage 145
Photoelectrochromism in the Retinal Protonated Schiff Base Chromophore: Photoisomerization Speed and Selectivity under a Homogeneous Electric Field at Different Operational Regimes 144
Toward an Understanding of the Spectral Tuning in Rhodopsin 144
Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections 144
Fine Tuning of Retinal Photoinduced Decay in Solution 143
An aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of Bacteriorhodopsin proton-pumping 143
Spectral lineshapes in nonlinear electronic spectroscopy 143
Rhodopsin and GFP Chromophores: QM/MM Absorption Spectra in Solvent and Protein 142
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy 142
Evolution of the Excitonic State of DNA Stacked Thymines: Intrabase ππ∗→S0. Decay Paths Account for Ultrafast (Subpicosecond) and Longer (>100 ps) Deactivations 142
Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back 141
Ultrafast Spectroscopy: State of the Art and Open Challenges 141
Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM 140
Environment-Driven Coherent Population Transfer Governs the Ultrafast Photophysics of Tryptophan 140
Totale 18.332
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Categoria #
all - tutte 90.973
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 90.973
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211.982 0 0 0 0 0 207 181 151 449 176 137 681
2021/20223.203 305 92 282 196 303 179 172 284 145 128 635 482
2022/20233.721 293 395 178 452 220 318 158 221 757 83 367 279
2023/20241.403 133 195 81 160 70 167 110 124 40 152 111 60
2024/20256.022 203 800 461 341 1.051 367 437 375 131 314 354 1.188
2025/20268.278 1.223 1.262 1.377 827 1.256 2.333 0 0 0 0 0 0
Totale 31.857