CRIS Current Research Information System

RIVALTA, IVAN
 Distribuzione geografica
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Continente #
AS - Asia 7.196
NA - Nord America 6.294
EU - Europa 5.746
SA - Sud America 401
AF - Africa 286
OC - Oceania 8
Continente sconosciuto - Info sul continente non disponibili 7
Totale 19.938
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Nazione #
US - Stati Uniti d'America 6.215
CN - Cina 2.015
SG - Singapore 1.909
VN - Vietnam 1.636
DE - Germania 1.233
IT - Italia 1.135
NL - Olanda 837
GB - Regno Unito 804
HK - Hong Kong 462
SE - Svezia 377
KR - Corea 323
FR - Francia 305
IN - India 299
BR - Brasile 289
RU - Federazione Russa 210
FI - Finlandia 188
IE - Irlanda 147
JP - Giappone 123
JO - Giordania 100
ZA - Sudafrica 99
UA - Ucraina 65
EE - Estonia 63
CH - Svizzera 58
ES - Italia 57
CI - Costa d'Avorio 51
ID - Indonesia 50
AT - Austria 46
AR - Argentina 43
CA - Canada 42
PL - Polonia 42
TH - Thailandia 40
BE - Belgio 38
TG - Togo 36
TW - Taiwan 36
SC - Seychelles 35
PH - Filippine 34
BD - Bangladesh 32
IQ - Iraq 32
BG - Bulgaria 31
PK - Pakistan 27
EC - Ecuador 24
MX - Messico 22
HR - Croazia 19
DK - Danimarca 18
CO - Colombia 15
NG - Nigeria 15
UZ - Uzbekistan 15
CL - Cile 14
NO - Norvegia 14
SA - Arabia Saudita 13
MA - Marocco 12
TR - Turchia 12
CZ - Repubblica Ceca 10
LT - Lituania 10
PT - Portogallo 10
RO - Romania 7
AU - Australia 6
LB - Libano 6
PY - Paraguay 6
ET - Etiopia 5
EU - Europa 5
GR - Grecia 5
KE - Kenya 5
DZ - Algeria 4
IR - Iran 4
RS - Serbia 4
SI - Slovenia 4
VE - Venezuela 4
AE - Emirati Arabi Uniti 3
CR - Costa Rica 3
EG - Egitto 3
JM - Giamaica 3
KZ - Kazakistan 3
LY - Libia 3
MY - Malesia 3
PA - Panama 3
SN - Senegal 3
TN - Tunisia 3
UY - Uruguay 3
BO - Bolivia 2
CM - Camerun 2
DO - Repubblica Dominicana 2
GA - Gabon 2
GE - Georgia 2
KW - Kuwait 2
LA - Repubblica Popolare Democratica del Laos 2
MG - Madagascar 2
NP - Nepal 2
OM - Oman 2
PS - Palestinian Territory 2
SY - Repubblica araba siriana 2
AL - Albania 1
AN - Antille olandesi 1
AO - Angola 1
AZ - Azerbaigian 1
BA - Bosnia-Erzegovina 1
BF - Burkina Faso 1
BW - Botswana 1
CU - Cuba 1
CV - Capo Verde 1
Totale 19.918
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Città #
Singapore 1.328
Ashburn 729
Frankfurt am Main 727
Fairfield 705
Eygelshoven 690
Southend 657
Hefei 639
Hong Kong 434
Santa Clara 369
Ho Chi Minh City 368
Bologna 357
Woodbridge 355
Hanoi 345
Houston 343
Seoul 302
Seattle 300
San Jose 282
Wilmington 252
Chandler 233
Cambridge 228
Dallas 202
Beijing 191
Princeton 177
Boardman 169
Ann Arbor 160
Dublin 147
Dong Ket 145
Helsinki 138
Lauterbourg 129
Amman 100
Milan 94
Tokyo 93
Nanjing 74
Council Bluffs 72
Da Nang 71
Westminster 70
Redondo Beach 65
Bengaluru 63
Los Angeles 63
Berlin 60
Abidjan 51
Redmond 49
Haiphong 48
Cesena 47
Jinan 44
Guangzhou 42
Falkenstein 41
Zurich 39
Buffalo 38
Shanghai 38
Shenyang 38
Saint Petersburg 37
San Diego 37
Turin 37
Lomé 36
Brussels 35
Lappeenranta 35
Olalla 32
Warsaw 32
São Paulo 31
Kerkrade 30
Sofia 30
Munich 29
Rome 29
Amsterdam 28
Changsha 28
Dearborn 28
Vienna 28
Jakarta 27
London 27
Nuremberg 27
Kyiv 26
Tianjin 26
Bremen 25
Padova 24
Secaucus 24
Nanchang 22
Tongling 22
Falls Church 20
Hangzhou 20
Atlanta 19
Chicago 19
Hebei 19
Johannesburg 19
New York 19
Norwalk 19
The Dalles 19
Zhengzhou 19
Biên Hòa 18
Pisa 18
Cardiff 17
Des Moines 16
Phoenix 16
Thái Nguyên 16
Forlì 15
Stockholm 15
Turku 15
Baghdad 14
Comacchio 14
Fuzhou 14
Totale 13.573
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Nome #
Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct 1.044
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes 950
Boosting the guerbet reaction: A cooperative catalytic system for the efficient bio-ethanol refinery to second-generation biofuels 337
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 241
Combined computational-experimental study of Ru(0)-catalyzed Guerbet reaction 233
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations 225
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 ethylene dehydrogenation by bare Niobium atom and cation 206
Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations 204
Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates 200
Influence of stabilisers on the catalytic activity of supported Au colloidal nanoparticles for the liquid phase oxidation of glucose to glucaric acid: understanding the catalyst performance from NMR relaxation and computational studies 198
The Guerbet reaction kinetic enigma; how co-catalysts play a crucial role in the catalytic cycle 195
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table 195
Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment 192
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate 191
Ultrafast Carotenoid to Retinal Energy Transfer in Xanthorhodopsin Revealed by the Combination of Transient Absorption and Two-Dimensional Electronic Spectroscopy 185
Allostery in Its Many Disguises: From Theory to Applications 184
Modeling solvent effects and convergence of 31P‐NMR shielding calculations with COBRAMM 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
UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level 178
Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy 176
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles 171
BOOSTING THE GUERBET REACTION: A COOPERATIVE HOMOGENEOUS CATALYTIC SYSTEM FOR BIOETHANOL REFINERY TO SECOND-GENERATION BIOFUELS 167
The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations 166
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy 165
Allosteric pathways in imidazole glycerol phosphate synthase 164
Fine Tuning of Retinal Photoinduced Decay in Solution 163
Activation of methane by the iron dimer cation. A theoretical study 163
Acetylene cyclotrimerization by early second-row transition metals in the gas phase. A theoretical study 163
Spectral lineshapes in nonlinear electronic spectroscopy 163
Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back 162
Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9 161
Characterization of Protein Tyrosine Phosphatase 1B Inhibition by Chlorogenic Acid and Cichoric Acid 161
Effect of Capping Ligands for the Synthesis of Gold Nanoparticles and on the Catalytic Performance for the Oxidation of 5-Hydroxymethyl-2-furfural 160
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size 159
The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone 159
Structure-activity relationships of ZrO2 crystalline phases in the catalytic transfer hydrogenation of methyl levulinate with ethanol 158
Characterization of an amorphous iridium water-oxidation catalyst electrodeposited from organometallic precursors 158
How to bring alcohols out of the Guerbet’s labyrinth: an efficient homogeneous catalytic approach 155
Two State Reactivity Paradigm in Catalysis. The Example of X-H (X = O, N, C) and C-C Bonds Activation Mediated by Transition Metal Compounds 155
Eigenvector centrality for characterization of protein allosteric pathways 155
Modelling quenching mechanisms of disordered molecular systems in the presence of molecular aggregates 155
Theoretical study of the gas-phase ethane C-H and C-C bonds activation by bare niobium cation 154
Polymerization isomerism in co-m (M = cu, ag, au) carbonyl clusters: Synthesis, structures and computational investigation 152
ACS Sustainable Chemistry & Engineering 151
Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers 150
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry 150
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter 149
RUTHENIUM BIFUNCTIONAL BASED CATALYTIC SYSTEMS TO TUNE EFFICENCY AND SELECTIVITY IN ALCOHOL HOMOLOGATION 148
Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol 147
Theoretical Model of the Protochlorophyllide Oxidoreductase from a Hierarchy of Protocols 147
Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies 146
Two-dimensional UV spectroscopy: A new insight into the structure and dynamics of biomolecules 146
Predicting the exchange coupling constant in a diiron complex 145
Adsorption of ethylene, vinyl, acetic acid, and acetate species on PdAu(111) and PdAu(100) surface alloys: A cluster model study 145
Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy 143
Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study 143
Modeling multidimensional spectral lineshapes from first principles: Application to water-solvated adenine 143
Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes 142
UNRAVELLING THE MECHANISM OF THE GUERBET REACTION USING A RUTHENIUM CATALYST: A SYNERGISTIC COMPUTATIONAL AND EXPERIMENTAL STUDY 141
Allosteric Communication Disrupted by a Small Molecule Binding to the Imidazole Glycerol Phosphate Synthase Protein-Protein Interface 141
Atomic configurations of Pd atoms in PdAu(1 1 1) and PdAu(1 0 0) surface alloys: Ab initio density functional calculations 141
Experimental and theoretical study on the homogeneous catalyzed Guerbet reaction with ruthenium-NHC complexes 140
Spectral tuning of ultraviolet cone pigments: An interhelical lock mechanism 139
Solution NMR and computational methods for understanding protein allostery 138
Community Network Analysis of Allosteric Proteins 138
Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy 137
Modelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in rhodopsins 136
Allosteric Pathways in the PPARγ 3-RXRα nuclear receptor complex 136
Theoretical investigation of the mechanism of acid-catalyzed oxygenation of a Pd(II)-hydride to produce a Pd(II)-hydroperoxide 135
Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer 134
Structural-functional role of chloride in photosystem II 134
Computational Studies of the Oxygen-Evolving Complex of Photosystem II and Biomimetic Oxomanganese Complexes for Renewable Energy ApplicationsApplications of Molecular Modeling to Challenges in Clean Energy 133
Structural Studies of Oxomanganese Complexes for Water Oxidation Catalysis 133
Facile ecofriendly synthesis of monastrol and its structural isomers via biginelli reaction 132
Connected Component Analysis of Dynamical Perturbation Contact Networks 131
Key role of the REC lobe during CRISPR-Cas9 activation by 'sensing', 'regulating', and 'locking' the catalytic HNH domain 131
Noncollinear spins provide a self-consistent treatment of the low-spin state of a biomimetic oxomanganese synthetic trimer inspired by the oxygen evolving complex of photosystem II 131
S1-state model of the O2-evolving complex of photosystem II 131
Oxomanganese complexes for natural and artificial photosynthesis 131
Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian 130
Interaction of CO with PdAu(111) and PdAu(100) bimetallic surfaces: A theoretical cluster model study 130
The influence of surface oxygen and hydroxyl groups on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study 128
Methane activation by chromium oxide cations in the gas phase: A theoretical study 128
The role of quantum chemistry in the elucidation of the elementary mechanisms of catalytic processes: From atoms, to surfaces, to enzymes 127
Homogeneous Green Conversion of the Bio-Based Platform HMF (5-Hydroxymethylfurfural) into BHMF (2,5-Bis(hydroxymethyl)furan): Synthesis and LCA (Life Cycle Assessment) 126
Theoretical and experimental study on the role of benzoquinone in the homogeneous catalyzed Guerbet reaction 126
Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis 125
Heterometallic rhodium clusters as electron reservoirs: Chemical, electrochemical, and theoretical studies of the centered-icosahedral [Rh12E(CO)27]n− atomically precise carbonyl compounds 125
UNRAVELLING THE MECHANISM OF THE GUERBET REACTION USING A RUTHENIUM CATALYST: A SYNERGISTIC COMPUTATIONAL AND EXPERIMENTAL STUDY 123
Reengineering rate-limiting, millisecond enzyme motions by introduction of an unnatural amino acid 123
Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods 123
Boosting the Guerbet reaction: a cooperative homogeneous catalytic system for bioethanol refinery to second-generation biofuels 123
SYNERGISTIC COMPUTATIONAL AND EXPERIMENTAL STUDY OF THE MECHANISM OF THE RU-CATALYSED GUERBET REACTION 121
The geometric effect in palladium-gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis? 121
Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin 119
The recognition of a new pathway for the reaction of molecular oxygen with a Pd(II)-hydride to produce a Pd(II)-hydroperoxide 117
Totale 17.381
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Categoria #
all - tutte 52.853
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 52.853
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021431 0 0 0 0 0 0 0 0 0 80 54 297
2021/20221.562 160 24 108 95 165 73 57 168 86 38 327 261
2022/20231.819 124 195 77 209 107 119 51 163 368 73 152 181
2023/2024822 81 108 44 79 71 94 69 78 19 61 78 40
2024/20253.438 89 482 269 225 524 175 235 209 65 164 274 727
2025/20268.579 641 1.077 868 611 576 1.115 1.257 277 1.646 511 0 0
Totale 20.463