CRIS Current Research Information System

GARAVELLI, MARCO
 Distribuzione geografica
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Continente #
AS - Asia 12.629
EU - Europa 12.452
NA - Nord America 12.192
SA - Sud America 627
AF - Africa 415
OC - Oceania 19
Continente sconosciuto - Info sul continente non disponibili 4
AN - Antartide 1
Totale 38.339
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Nazione #
US - Stati Uniti d'America 12.038
CN - Cina 3.518
SG - Singapore 3.232
VN - Vietnam 3.232
DE - Germania 2.879
IT - Italia 2.050
NL - Olanda 2.034
GB - Regno Unito 1.639
HK - Hong Kong 830
SE - Svezia 711
FR - Francia 663
IN - India 538
RU - Federazione Russa 438
BR - Brasile 433
FI - Finlandia 431
UA - Ucraina 389
KR - Corea 343
IE - Irlanda 342
JP - Giappone 187
ZA - Sudafrica 166
JO - Giordania 161
BE - Belgio 132
EE - Estonia 130
AT - Austria 111
BG - Bulgaria 102
ES - Italia 97
CA - Canada 90
TG - Togo 88
AR - Argentina 80
PL - Polonia 78
ID - Indonesia 72
PH - Filippine 72
TH - Thailandia 70
CH - Svizzera 55
BD - Bangladesh 51
TR - Turchia 46
IQ - Iraq 45
PK - Pakistan 45
CI - Costa d'Avorio 44
DK - Danimarca 44
TW - Taiwan 43
SC - Seychelles 41
MX - Messico 40
EC - Ecuador 36
SA - Arabia Saudita 29
CL - Cile 25
CO - Colombia 20
HR - Croazia 20
CZ - Repubblica Ceca 19
IR - Iran 19
AU - Australia 18
GR - Grecia 17
LT - Lituania 16
UZ - Uzbekistan 15
EG - Egitto 14
LB - Libano 13
MA - Marocco 13
MY - Malesia 12
RO - Romania 12
VE - Venezuela 11
TN - Tunisia 9
NO - Norvegia 8
PY - Paraguay 8
DZ - Algeria 7
KE - Kenya 7
PT - Portogallo 7
UY - Uruguay 7
AE - Emirati Arabi Uniti 6
IL - Israele 6
SI - Slovenia 6
AZ - Azerbaigian 5
DO - Repubblica Dominicana 5
ET - Etiopia 5
KZ - Kazakistan 5
NP - Nepal 5
OM - Oman 5
BO - Bolivia 4
CR - Costa Rica 4
HU - Ungheria 4
JM - Giamaica 4
LY - Libia 4
PR - Porto Rico 4
PS - Palestinian Territory 4
RS - Serbia 4
AL - Albania 3
EU - Europa 3
KG - Kirghizistan 3
MN - Mongolia 3
NG - Nigeria 3
PE - Perù 3
SK - Slovacchia (Repubblica Slovacca) 3
SY - Repubblica araba siriana 3
AO - Angola 2
CM - Camerun 2
HN - Honduras 2
KW - Kuwait 2
LA - Repubblica Popolare Democratica del Laos 2
MD - Moldavia 2
PA - Panama 2
SN - Senegal 2
Totale 38.312
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Città #
Singapore 2.197
Frankfurt am Main 1.788
Eygelshoven 1.753
Southend 1.345
Fairfield 1.232
Ashburn 1.138
Hong Kong 787
Hefei 742
Santa Clara 742
Ho Chi Minh City 738
San Jose 636
Hanoi 635
Woodbridge 621
Bologna 619
Seattle 606
Chandler 578
Houston 568
Wilmington 510
Cambridge 432
Princeton 387
Ann Arbor 377
Dublin 342
Beijing 341
Helsinki 316
Dong Ket 307
Boardman 297
Seoul 280
Dallas 255
Jacksonville 223
Lauterbourg 216
Milan 171
Amman 161
Los Angeles 157
Nanjing 150
Westminster 146
Tokyo 134
Berlin 131
Council Bluffs 123
Padova 120
Redmond 118
Guangzhou 110
Haiphong 106
Buffalo 103
Lappeenranta 103
Shanghai 103
Sofia 99
Jinan 96
Da Nang 94
Brussels 90
San Diego 89
Lomé 88
Saint Petersburg 86
Shenyang 85
Amsterdam 83
Bengaluru 80
Falkenstein 74
Changsha 73
Kerkrade 72
Redondo Beach 68
Tianjin 68
Turin 68
Vienna 68
New York 67
Forlì 59
Chicago 58
São Paulo 56
Des Moines 55
Nuremberg 55
Bremen 54
Hangzhou 52
Hebei 51
London 50
Cesena 48
Jakarta 48
Munich 47
Abidjan 44
Atlanta 43
Medford 41
Biên Hòa 40
Kyiv 39
Mülheim 39
Nanchang 39
Secaucus 38
Shenzhen 37
The Dalles 36
Jiaxing 35
Warsaw 35
Düsseldorf 34
Johannesburg 33
Paris 33
Pisa 33
Falls Church 32
Bangkok 31
Haikou 31
Hải Dương 31
Thái Nguyên 31
Can Tho 30
Zhengzhou 30
Stockholm 29
Bern 28
Totale 25.897
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Nome #
Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct 1.044
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 1.019
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes 950
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide 784
Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization 778
Hybrid QM/MM Approach for the Calculation of Excited States in Complex Environments 342
Multidimensional Potential Energy Surfaces Resolved at the RASPT2 Level for Accurate Photoinduced Isomerization Dynamics of Azobenzene 303
Tailored Coumarin Dyes for Photoredox Catalysis: Calculation, Synthesis, and Electronic Properties 286
Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics 278
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol 276
Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications 245
First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases 242
Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction 233
On the Mechanism of the cis-trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1 233
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations 225
UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans -Azobenzene 224
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER level 222
Ab initio Investigation to Model Stilbene Photo-Physical Properties by Combining CC2 Topological Investigation and CASPT2 Energy Corrections 220
Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction 219
Reconciling TD‐DFT and CASPT2 electronic structure methods for describing the photophysics of DNA 218
IL RUOLO DELLA CHIMICA TEORICA NELLA FOTOFISICA E NELLA FOTOCHIMICA 216
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 210
COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations 209
A Theoretical Study of the Lowest Electronic States of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization 207
Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model 207
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides 206
Electron and ion spectroscopy of Azobenzene in the valence and core shells 202
Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates 200
A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils 199
Substituent controlled spectroscopy and excited state topography of retinal chromophore models: fluorinated and methoxy-substituted protonated Schiff bases 196
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table 195
Spectral Tuning and Photoisomerization Efficiency in Push-Pull Azobenzenes: Designing Principles 195
QM/MM Photodynamics of Retinal in the Channelrhodopsin Chimera C1C2 with OM3/MRCI 194
Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment 193
Computational Organic Photochemistry: Strategy, Achievements and Perspectives 192
Computation of photochemical reaction mechanisms in organic chemistry 191
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate 191
Light driven molecular switches: exploring and tuning their photophysical and photochemical properties 189
Photophysics of Deoxycytidine and 5-Methyldeoxycytidine in Solution: A Comprehensive Picture by Quantum Mechanical Calculations and Femtosecond Fluorescence Spectroscopy 189
A Global Investigation of Excited State Surfaces within Time-Dependent Density-Functional Response Theory 188
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 187
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions 185
Fernando Bernardi Memorial Issue - Preface 185
Deciphering Low Energy Deactivation Channels in Adenine 185
Conical intersection dynamics of the primary photoisomerization event in vision 185
Ultrafast Carotenoid to Retinal Energy Transfer in Xanthorhodopsin Revealed by the Combination of Transient Absorption and Two-Dimensional Electronic Spectroscopy 185
Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models 184
A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction 184
Photoisomerization Mechanism of 11-cis-Locked Artificial Retinal Chromophores: Acceleration and Primary Photoproduct Assignment 183
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching. 183
Retinal Photoisomerization in Rhodopsin: Electrostatic and Steric Catalysis 183
Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation 183
An ab initio Study of Decay Mechanism of Adenine: the Facile Path of the Amino NH Bond Cleavage 182
Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections 182
Ultrafast Spectroscopy: State of the Art and Open Challenges 182
Azobenzene cis-trans Photoisomerization Mechanism: Characterization of the Decay Ways from the Lowest pipi* Absorbing Singlet State 182
Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM 181
Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins 181
Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach 180
Tracking excited state decay mechanisms of pyrimidine nucleosides in real time 180
About the Intrinsic Photochemical Properties of the 11-cis Retinal Chromophore: Computational Clues for a Trap State and a Lever Effect in Rhodopsin Catalysis 179
Observation of the Sub-100 Femtosecond Population of a Dark State in a Thiobase Mediating Intersystem Crossing 179
UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level 178
CASSCF/Amber parameterization of the Lys296-Retinal-Glu113 rhodopsin chromophore-counterion system 177
Can Simple Enones Be Useful Partners for the Catalytic Stereoselective Alkylation of Indoles 177
Cyclohexenylphenyldiazene: A Simple Surrogate of the Azobenzene Photochromic Unit 176
Intramolecular photo-induced charge transfer in visual retinal chromophore mimics: electron density-based indices at the TD-DFT and post-HF levels 176
Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study 176
Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy 176
Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model 174
Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The beta-Ionone "Handle" and Alkyl Group Effect 172
Product Formation in Rhodopsin by Fast Hydrogen Motions 172
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles 172
The Catalytic Activity of Proline Racemase: a QM/MM Study 171
The retinal chromophore/chloride ion-pair: Structure of the photoisomerization path and interplay of charge transfer and covalent states 170
COBRAMM: A Tunable QM/MM Approach to Complex Molecular Architectures. Modelling the Excited and Ground State Properties of Sized Molecular Systems 170
Computational QM/MM Study of the Reaction Mechanism of Human Glutathione S-Transferase A3-3 170
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes 170
Converging many-body correlation energies by means of sequence extrapolation 170
Ultrafast spectroscopy of photoactive molecular systems from first principles: Where we stand today and where we are going 170
COBRAMM (part 2): an Overview on Some Computational Details; Geometry Optimization, Frequency Calculation, Analysis of the Results 169
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state 168
Engineering Azobenzene Derivatives to Control the Photoisomerization Process 168
The Catalytic Activity of Diaminopimelate Epimerase: a QM/MM Study 167
Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM 166
The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations 166
Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level 166
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy 165
Fine Tuning of Retinal Photoinduced Decay in Solution 164
Rhodopsin and GFP Chromophores: QM/MM Absorption Spectra in Solvent and Protein 163
Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back 163
Evolution of the Excitonic State of DNA Stacked Thymines: Intrabase ππ∗→S0. Decay Paths Account for Ultrafast (Subpicosecond) and Longer (>100 ps) Deactivations 163
Spectral lineshapes in nonlinear electronic spectroscopy 163
Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties 162
Environment-Driven Coherent Population Transfer Governs the Ultrafast Photophysics of Tryptophan 162
Computational Clues for a New Mechanism in the Glycosylase Activity of the Human DNA Repair Protein hOGG1. A Generalized Paradigm for Purine-Repairing Systems? 162
Computational DFT Investigation of Vicinal Amide Group Anchimeric Assistance in Ether Cleavage 162
An aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of Bacteriorhodopsin proton-pumping 162
Toward an Understanding of the Spectral Tuning in Rhodopsin 161
On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides 161
Totale 22.730
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Categoria #
all - tutte 101.295
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 101.295
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021994 0 0 0 0 0 0 0 0 0 176 137 681
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
2025/202615.744 1.223 1.262 1.377 827 1.256 2.547 2.843 519 2.988 902 0 0
Totale 39.323