IRIS
GUIDONI, LEONARDO
 Distribuzione geografica
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Continente #
NA - Nord America 3.772
EU - Europa 2.462
AS - Asia 1.635
SA - Sud America 159
AF - Africa 12
Continente sconosciuto - Info sul continente non disponibili 8
OC - Oceania 1
Totale 8.049
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Nazione #
US - Stati Uniti d'America 3.761
IE - Irlanda 736
CN - Cina 556
SG - Singapore 425
SE - Svezia 374
TR - Turchia 336
DE - Germania 283
RU - Federazione Russa 263
HK - Hong Kong 257
UA - Ucraina 189
IT - Italia 175
GB - Regno Unito 170
BR - Brasile 148
FI - Finlandia 107
FR - Francia 57
CZ - Repubblica Ceca 43
BE - Belgio 22
IN - India 18
VN - Vietnam 16
NL - Olanda 12
EU - Europa 8
ZA - Sudafrica 6
AT - Austria 5
AR - Argentina 4
BG - Bulgaria 4
DK - Danimarca 4
EC - Ecuador 4
SI - Slovenia 4
AZ - Azerbaigian 3
BD - Bangladesh 3
CA - Canada 3
IQ - Iraq 3
JM - Giamaica 3
KR - Corea 3
MX - Messico 3
NP - Nepal 3
HU - Ungheria 2
JO - Giordania 2
MA - Marocco 2
OM - Oman 2
PK - Pakistan 2
SK - Slovacchia (Repubblica Slovacca) 2
TN - Tunisia 2
AE - Emirati Arabi Uniti 1
BA - Bosnia-Erzegovina 1
CL - Cile 1
DZ - Algeria 1
EE - Estonia 1
ES - Italia 1
GR - Grecia 1
IL - Israele 1
JP - Giappone 1
KE - Kenya 1
KZ - Kazakistan 1
LI - Liechtenstein 1
LT - Lituania 1
MK - Macedonia 1
NI - Nicaragua 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
PE - Perù 1
RO - Romania 1
RS - Serbia 1
SV - El Salvador 1
TW - Taiwan 1
UZ - Uzbekistan 1
VE - Venezuela 1
Totale 8.049
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Città #
Chandler 834
Jacksonville 759
Dublin 734
Hong Kong 257
Santa Clara 237
Boardman 235
Singapore 230
Nanjing 167
Izmir 166
Wilmington 125
San Mateo 116
Lawrence 103
Princeton 103
New York 94
Ann Arbor 89
Moscow 70
Ashburn 67
Woodbridge 54
Nanchang 45
Falls Church 43
Munich 43
Milan 42
Des Moines 41
Brno 39
Mountain View 37
Rome 35
Shenyang 32
Beijing 31
Seattle 28
Hebei 26
The Dalles 26
Helsinki 24
Tianjin 23
Brussels 22
Los Angeles 22
Bremen 21
Jiaxing 21
Kunming 20
Verona 19
Changsha 17
Dong Ket 16
Guangzhou 14
Jinan 14
Shanghai 14
Norwalk 12
Dallas 10
Hangzhou 10
L’Aquila 10
São Paulo 10
Falkenstein 8
Houston 8
Ningbo 8
Tappahannock 8
Zhengzhou 8
Amsterdam 7
Belo Horizonte 7
Washington 7
Dearborn 6
Düsseldorf 6
Pune 6
Taizhou 6
Council Bluffs 5
Lanzhou 5
Assago 4
Bielefeld 4
Campinas 4
Caxias do Sul 4
Cedar Knolls 4
Edinburgh 4
Fremont 4
Philadelphia 4
Rio de Janeiro 4
Vienna 4
Auburn Hills 3
Avezzano 3
Bassano del Grappa 3
Chicago 3
Fairfield 3
Florence 3
Frankfurt am Main 3
Genova 3
Jülich 3
Kathmandu 3
L'aquila 3
Lappeenranta 3
London 3
Newark 3
Orange 3
Pozzuoli 3
Redwood City 3
Sofia 3
Amman 2
Baku 2
Brasília 2
Budapest 2
Butiá 2
Cape Town 2
Cernusco Sul Naviglio 2
Changchun 2
Clifton 2
Totale 5.414
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Nome #
QM/MM dynamics of a Peridinin model in triplet state in three prototypical solvents 128
Theoretical optical spectroscopy of complex systems 109
Magnetic interactions in the catalyst used by nature to split water: a DFT plus U multiscale study on the Mn4CaO5 core in photosystem II 103
A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II 101
Vibrational Spectra of Water Solutions of Azoles from QM/MM Calculations: Effects of Solvation 100
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule 98
QM/MM Study of Rhodopsin 96
Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach 95
Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study 94
Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments 93
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz 93
Polarization effects and charge transfer in the KcsA Potassium Channel 91
Hidden Hydration Structure of Halide Ions: An Insight into the Importance of Lone Pairs 91
Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model 91
Protonated pyrimidine nucleosides probed by IRMPD spectroscopy 90
Early Steps of the Intramolecular Signaling Pathway in Rhodopsin Explored by Molecular Dynamics Simulations 90
Potassium and sodium binding to the outer mouth of the K+ channel 90
Tetraethylammonium binding to the outer mouth of the KcsA potassium channel: implications for ion permeation 90
Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics 89
Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo/Many Body Green's Function Theory level 88
Water and potassium dynamics inside the KcsA K+ channel 88
One-Electron Oxidation of Methionine-Containing Dipeptides of Reverse Sequence: Sulfur versus Sulfoxide Characterized by IRMPD Spectroscopy and Static and Dynamics DFT Simulations 88
Asymmetric Environmental Effects on the Structure and Vibrations of cis-[Pt(NH3)(2)Cl-2] in Condensed Phases 87
Environmental Effects on Vibrational Properties of Carotenoids: Experiments and Calculations on Peridinin 84
Magnetic coupling constants and vibrational frequencies by extended broken symmetry approach with hybrid functionals. 84
Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations 84
Role of Electron Correlation along the Water Splitting Reaction 84
Potassium permeation through the KcsA channel: a density functional study 84
Valence-Bond states in dynamical Jahn-Teller Molecular systems 84
QM/MM Simulation of the first step of vision 82
Coordination numbers of K+ and Na+ ions inside the selectivity filter of the KcsA potassium channel: Insights from first principles molecular dynamics 81
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities 81
On the hydration properties of the bromide aqua ion: the interplay of first principle and classical Molecular Dynamics, and X-ray absorption spectroscopy 81
The Impact of Nitric Oxide Toxicity on the Evolution of the Glutathione Transferase Superfamily. A proposal for an evolutionary driving force. 81
π-Conjugation in trans -1,3-Butadiene: Static and dynamical electronic correlations described through quantum monte carlo 81
Structural and dynamical characterization of the S4 state of the Kok-Joliot's cycle by means of QM/MM Molecular Dynamics Simulations 81
Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches 80
Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces 80
Contact Ion Pairs on a Protonated Azamacrocycle: The Role of the Anion Basicity 79
Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics 79
Fermi Resonance as a Tool for Probing Peridinin Environment 78
Quantum Monte Carlo study of the Retinal Minimal Model C5H6NH+2 78
Developing Improved Charge Sets for the Modeling of the KcsA K+ Channel Using QM/MM Electrostatic Potential 77
Hydration Structure of the Quaternary Ammonium Cations 77
Scanning Reactive Pathways with Orbital Biased Molecular Dynamics 77
Spin gap in low-dimensional Mott insulators with orbital degeneracy 76
Experimental and theoretical study of intramolecular exchange in Ir2Rh2(CO)12 and Ir4(CO)11(m-SO2) 76
Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne 76
The dynamics of the special pair of chlorophylls of Photosystem II 75
Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene 74
Protonation state of the chromophore in the photoactive yellow protein 74
Molecular dynamics of an asymmetric form of GabR, a bacterial transcriptional regulator 74
Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst 73
Spin liquid ground state in a two dimensional non-frustrated spin model 73
Vibrational Signatures of S-Nitrosoglutathione as Gaseous, Protonated Species 72
Copper binding sites in the C-terminal domain of mouse prion protein: a hybrid (QM/MM) molecular dynamics study 72
Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II 72
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 72
A molecular dynamics-guided mutagenesis identifies two aspartic acid residues involved in the pH-dependent activity of OG-OXIDASE 1 72
Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions 71
Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base 71
Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes 71
Phase separation in the 2D Hubbard model: a fixed-node quantum Monte Carlo study 70
Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex 70
Molecular Vibrations of an Oxygen-Evolving Complex and Its Synthetic Mimic 70
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo 69
Protein field effect on the dark state of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo / Molecular Mechanics 69
Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo 69
Reaction pathways by Quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene 68
Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States 68
Multiple Steering Molecular Dynamics Applied to Water at Alkali Ions 68
Pathway for Mn-cluster oxidation by tyrosine-Z in the S-2 state of photosystem II 68
Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics 68
Protonation States in a Cobalt-Oxide Catalyst for Water Oxidation: Fine Comparison of Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy Results 67
Protonated hexaazamacrocycles as selective K+ receptors 67
The origin of the chemoselectivity in the Cp2TiCl2/MAO catalyst for the polymerization of 1,3-butadiene explored by Density Functional Theory 66
Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin 66
Mechanism of Oxygen Evolution and Mn4CaO5 Cluster Restoration in the Natural Water-Oxidizing Catalyst 66
The protonation state of the Glu-71/Asp-80 residues in the KcsA Potassium Channel. A first principles QM/MM Molecular Dynamics Study 64
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 64
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 64
Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes 64
H/D Isotope Effects Reveal Factors Controlling Catalytic Activity in Co-Based Oxides for Water Oxidation 64
A Molecular Spring for Vision 63
Spectroscopic evidence for a gas-phase librating G-quartet-Na+ complex 63
Properties of reactive oxygen species by quantum Monte Carlo 62
Atomistic texture of amorphous manganese oxides for electrochemical water splitting revealed by ab initio calculations combined with X-ray spectroscopy 62
Tautomerism in liquid 1,2,3-triazole: a combined energy-dispersive X-ray diffraction, molecular dynamics, and FTIR study 62
Molecular dynamics simulations and kinetic measurements provide insights into the structural requirements of substrate size-dependent specificity of oligogalacturonide oxidase 1 (OGOX1) 61
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore 61
On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II 61
Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure, Dynamics and Reactivity 60
Wave Function Adapted Hamiltonians for Quantum Computing 59
Competing factors on the frequency separation between the OH stretching modes in water 58
Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II 58
Green Oxidation Catalysts: Computational Design of High-Efficiency Models of Galactose Oxidase 57
Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy 57
Extended wavefunctions for the Variational Quantum Eigensolver 56
Structural and Spectroscopic Properties of Water around Small Hydrophobic Solutes 55
Spin-symmetrised structures and vibrational frequencies of iron-sulfur clusters 51
Totale 7.619
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Categoria #
all - tutte 38.653
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 38.653
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020100 0 0 0 0 0 0 0 0 0 0 4 96
2020/2021851 5 94 2 98 96 39 108 4 126 47 172 60
2021/2022718 42 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
2024/20251.773 63 41 168 48 252 201 319 223 374 65 19 0
Totale 8.193