IRIS
GUIDONI, LEONARDO
 Distribuzione geografica
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Continente #
NA - Nord America 6.198
AS - Asia 3.391
EU - Europa 3.291
SA - Sud America 491
Continente sconosciuto - Info sul continente non disponibili 162
AF - Africa 59
OC - Oceania 2
Totale 13.594
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Nazione #
US - Stati Uniti d'America 6.094
SG - Singapore 1.293
CN - Cina 828
IE - Irlanda 740
RU - Federazione Russa 689
BR - Brasile 410
SE - Svezia 386
TR - Turchia 349
HK - Hong Kong 341
DE - Germania 331
VN - Vietnam 317
IT - Italia 270
GB - Regno Unito 224
UA - Ucraina 193
FR - Francia 144
FI - Finlandia 114
IN - India 59
CA - Canada 53
CZ - Repubblica Ceca 43
BD - Bangladesh 40
JP - Giappone 38
NL - Olanda 35
AR - Argentina 29
PL - Polonia 27
MX - Messico 25
ZA - Sudafrica 25
BE - Belgio 22
ES - Italia 19
ID - Indonesia 19
IQ - Iraq 17
EC - Ecuador 14
AT - Austria 11
PK - Pakistan 10
VE - Venezuela 10
CO - Colombia 9
EU - Europa 8
KR - Corea 8
PH - Filippine 8
UZ - Uzbekistan 8
NP - Nepal 7
AE - Emirati Arabi Uniti 6
AZ - Azerbaigian 6
BG - Bulgaria 6
KZ - Kazakistan 6
MA - Marocco 6
SA - Arabia Saudita 6
TN - Tunisia 6
CL - Cile 5
JM - Giamaica 5
LT - Lituania 5
PE - Perù 5
DK - Danimarca 4
DZ - Algeria 4
IL - Israele 4
PY - Paraguay 4
SI - Slovenia 4
TH - Thailandia 4
TT - Trinidad e Tobago 4
BA - Bosnia-Erzegovina 3
BO - Bolivia 3
CR - Costa Rica 3
DO - Repubblica Dominicana 3
ET - Etiopia 3
JO - Giordania 3
KE - Kenya 3
MY - Malesia 3
SK - Slovacchia (Repubblica Slovacca) 3
EE - Estonia 2
EG - Egitto 2
GT - Guatemala 2
HN - Honduras 2
HR - Croazia 2
HU - Ungheria 2
KG - Kirghizistan 2
NI - Nicaragua 2
OM - Oman 2
RO - Romania 2
SV - El Salvador 2
TW - Taiwan 2
AD - Andorra 1
AL - Albania 1
AU - Australia 1
BF - Burkina Faso 1
BN - Brunei Darussalam 1
BQ - ???statistics.table.value.countryCode.BQ??? 1
BS - Bahamas 1
BY - Bielorussia 1
BZ - Belize 1
CG - Congo 1
CH - Svizzera 1
CI - Costa d'Avorio 1
GD - Grenada 1
GN - Guinea 1
GR - Grecia 1
GY - Guiana 1
IR - Iran 1
LA - Repubblica Popolare Democratica del Laos 1
LI - Liechtenstein 1
MD - Moldavia 1
MK - Macedonia 1
Totale 13.429
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Città #
Chandler 834
Singapore 805
Jacksonville 761
Dublin 738
San Jose 589
Dallas 471
Ashburn 370
Hong Kong 333
Santa Clara 281
Boardman 236
Nanjing 167
Izmir 166
New York 157
The Dalles 136
Moscow 131
Council Bluffs 130
Wilmington 126
San Mateo 116
Lawrence 103
Princeton 103
Ho Chi Minh City 98
Beijing 97
Ann Arbor 89
Los Angeles 85
Lauterbourg 77
Hanoi 71
Munich 68
Woodbridge 54
Milan 51
Rome 51
São Paulo 50
Des Moines 45
Nanchang 45
Columbus 43
Falls Church 43
Brno 39
Mountain View 37
Tokyo 37
Hefei 35
Shenyang 32
Seattle 30
Shanghai 28
Amsterdam 26
Hebei 26
Denver 25
Orem 25
Chicago 24
Helsinki 24
Tianjin 24
Warsaw 24
Montreal 23
Bremen 22
Brussels 22
Houston 21
Jiaxing 21
Kunming 20
Brooklyn 19
Chennai 19
Verona 19
Changsha 17
Dong Ket 16
L’Aquila 16
Da Nang 15
Phoenix 15
Boston 14
Guangzhou 14
Jinan 14
Johannesburg 14
Jakarta 13
Belo Horizonte 12
Falkenstein 12
London 12
Norwalk 12
Rio de Janeiro 12
Toronto 12
San Francisco 11
Stockholm 11
Haiphong 10
Hangzhou 10
Lappeenranta 9
Washington 9
Assago 8
Biên Hòa 8
Buffalo 8
Florence 8
Hải Dương 8
Manchester 8
Mexico City 8
Ningbo 8
Poplar 8
Tappahannock 8
Zhengzhou 8
Brasília 7
Campinas 7
Curitiba 7
Düsseldorf 7
Frankfurt am Main 7
Quito 7
Ribeirão Preto 7
Ankara 6
Totale 8.765
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Nome #
QM/MM dynamics of a Peridinin model in triplet state in three prototypical solvents 192
A molecular dynamics-guided mutagenesis identifies two aspartic acid residues involved in the pH-dependent activity of OG-OXIDASE 1 164
Vibrational Spectra of Water Solutions of Azoles from QM/MM Calculations: Effects of Solvation 159
Mechanism of Oxygen Evolution and Mn4CaO5 Cluster Restoration in the Natural Water-Oxidizing Catalyst 151
A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II 150
Structural and dynamical characterization of the S4 state of the Kok-Joliot's cycle by means of QM/MM Molecular Dynamics Simulations 149
Molecular dynamics of an asymmetric form of GabR, a bacterial transcriptional regulator 144
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule 140
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz 139
Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach 139
Molecular dynamics simulations and kinetic measurements provide insights into the structural requirements of substrate size-dependent specificity of oligogalacturonide oxidase 1 (OGOX1) 138
Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes 138
Role of Electron Correlation along the Water Splitting Reaction 137
Wave Function Adapted Hamiltonians for Quantum Computing 137
Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics 136
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities 134
Magnetic interactions in the catalyst used by nature to split water: a DFT plus U multiscale study on the Mn4CaO5 core in photosystem II 133
QM/MM Study of Rhodopsin 132
π-Conjugation in trans -1,3-Butadiene: Static and dynamical electronic correlations described through quantum monte carlo 132
The dynamics of the special pair of chlorophylls of Photosystem II 131
Early Steps of the Intramolecular Signaling Pathway in Rhodopsin Explored by Molecular Dynamics Simulations 130
Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations 130
Water and potassium dynamics inside the KcsA K+ channel 129
Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study 129
Potassium and sodium binding to the outer mouth of the K+ channel 129
Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model 129
Theoretical optical spectroscopy of complex systems 129
Protein field effect on the dark state of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo / Molecular Mechanics 127
Valence-Bond states in dynamical Jahn-Teller Molecular systems 127
Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments 126
Hidden Hydration Structure of Halide Ions: An Insight into the Importance of Lone Pairs 126
Effect of Phase Noise in Superconducting Qubit Control 125
Tetraethylammonium binding to the outer mouth of the KcsA potassium channel: implications for ion permeation 125
Molecular Vibrations of an Oxygen-Evolving Complex and Its Synthetic Mimic 125
Protonated pyrimidine nucleosides probed by IRMPD spectroscopy 124
QM/MM Simulation of the first step of vision 124
Contact Ion Pairs on a Protonated Azamacrocycle: The Role of the Anion Basicity 123
Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo/Many Body Green's Function Theory level 122
Magnetic coupling constants and vibrational frequencies by extended broken symmetry approach with hybrid functionals. 122
Fermi Resonance as a Tool for Probing Peridinin Environment 122
Polarization effects and charge transfer in the KcsA Potassium Channel 121
Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II 121
Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II 121
Structural and dynamic insights into Mn4Ca cluster-depleted Photosystem II 120
Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics 119
One-Electron Oxidation of Methionine-Containing Dipeptides of Reverse Sequence: Sulfur versus Sulfoxide Characterized by IRMPD Spectroscopy and Static and Dynamics DFT Simulations 119
Molecular Modelling and Simulations of Light-Harvesting Decanuclear Ru-Based Dendrimers for Artificial Photosynthesis 119
Spin liquid ground state in a two dimensional non-frustrated spin model 118
Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics 118
Potassium permeation through the KcsA channel: a density functional study 116
Quantum Monte Carlo study of the Retinal Minimal Model C5H6NH+2 116
Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches 115
The Impact of Nitric Oxide Toxicity on the Evolution of the Glutathione Transferase Superfamily. A proposal for an evolutionary driving force. 115
Environmental Effects on Vibrational Properties of Carotenoids: Experiments and Calculations on Peridinin 114
Coordination numbers of K+ and Na+ ions inside the selectivity filter of the KcsA potassium channel: Insights from first principles molecular dynamics 113
Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne 113
Asymmetric Environmental Effects on the Structure and Vibrations of cis-[Pt(NH3)(2)Cl-2] in Condensed Phases 112
Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo 112
Experimental and theoretical study of intramolecular exchange in Ir2Rh2(CO)12 and Ir4(CO)11(m-SO2) 111
Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex 111
Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces 111
Targeted Delivery of Lidocaine in Breast Cancer Cells via Zeolitic Imidazolate Framework‐8 Nanoparticles 110
Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene 109
The origin of the chemoselectivity in the Cp2TiCl2/MAO catalyst for the polymerization of 1,3-butadiene explored by Density Functional Theory 108
Scanning Reactive Pathways with Orbital Biased Molecular Dynamics 108
Reaction pathways by Quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene 107
Vibrational Signatures of S-Nitrosoglutathione as Gaseous, Protonated Species 107
On the hydration properties of the bromide aqua ion: the interplay of first principle and classical Molecular Dynamics, and X-ray absorption spectroscopy 107
Hydration Structure of the Quaternary Ammonium Cations 107
Protonation state of the chromophore in the photoactive yellow protein 107
Developing Improved Charge Sets for the Modeling of the KcsA K+ Channel Using QM/MM Electrostatic Potential 106
Copper binding sites in the C-terminal domain of mouse prion protein: a hybrid (QM/MM) molecular dynamics study 106
Phase separation in the 2D Hubbard model: a fixed-node quantum Monte Carlo study 106
Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst 106
Protonated hexaazamacrocycles as selective K+ receptors 106
On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II 106
The S-2 State of the Oxygen-Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S-3 State 105
Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphate 105
ZIF-8 as Potential Vector for Enhanced Target Delivery of Sulfathiazole for the Treatment of Bovine Ruminal Acidosis 104
Unveiling the Influence of Hydrated Deep Eutectic Solvents on the Dynamics of Water–Soluble Proteins 103
Investigation of the Entry Pathway and Molecular Nature of σ1 Receptor Ligands 103
The electron-proton bottleneck of photosynthetic oxygen evolution 103
Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States 103
Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications 103
A Molecular Spring for Vision 102
Pathway for Mn-cluster oxidation by tyrosine-Z in the S-2 state of photosystem II 102
Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions 101
Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base 101
H/D Isotope Effects Reveal Factors Controlling Catalytic Activity in Co-Based Oxides for Water Oxidation 101
Unravelling Mn4Ca cluster vibrations in the S1, S2 and S3 states of the Kok–Joliot cycle of photosystem II 101
Spin gap in low-dimensional Mott insulators with orbital degeneracy 100
Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes 100
Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition 100
Overcoming the Inadequacy of X-ray Powder Diffraction in Reliable Hydrogen Location with the Aid of First Principles Calculations: Crystal Structure Determination of Orotaldehyde Monohydrate 100
Extended wavefunctions for the Variational Quantum Eigensolver 98
Properties of reactive oxygen species by quantum Monte Carlo 97
Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure, Dynamics and Reactivity 97
Tautomerism in liquid 1,2,3-triazole: a combined energy-dispersive X-ray diffraction, molecular dynamics, and FTIR study 97
The protonation state of the Glu-71/Asp-80 residues in the KcsA Potassium Channel. A first principles QM/MM Molecular Dynamics Study 95
Protonation States in a Cobalt-Oxide Catalyst for Water Oxidation: Fine Comparison of Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy Results 95
Totale 11.855
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Categoria #
all - tutte 57.050
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 57.050
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/2022676 0 50 154 51 49 28 19 31 56 18 39 181
2022/20232.267 159 133 57 244 171 268 2 176 944 12 68 33
2023/2024499 79 38 29 58 32 130 11 13 1 27 8 73
2024/20252.096 63 41 168 48 252 201 319 223 374 65 194 148
2025/20264.827 203 514 462 589 473 347 821 154 398 575 238 53
2026/2027251 117 134 0 0 0 0 0 0 0 0 0 0
Totale 13.594