IRIS
GUIDONI, LEONARDO
 Distribuzione geografica
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Continente #
NA - Nord America 4.896
AS - Asia 2.782
EU - Europa 2.661
SA - Sud America 421
AF - Africa 46
Continente sconosciuto - Info sul continente non disponibili 8
OC - Oceania 1
Totale 10.815
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Nazione #
US - Stati Uniti d'America 4.826
SG - Singapore 1.098
CN - Cina 746
IE - Irlanda 738
SE - Svezia 386
BR - Brasile 363
TR - Turchia 344
DE - Germania 321
HK - Hong Kong 313
RU - Federazione Russa 269
GB - Regno Unito 214
IT - Italia 203
UA - Ucraina 191
FI - Finlandia 110
VN - Vietnam 102
FR - Francia 62
IN - India 46
CZ - Repubblica Ceca 43
CA - Canada 35
JP - Giappone 26
NL - Olanda 25
AR - Argentina 23
PL - Polonia 23
BE - Belgio 22
MX - Messico 21
ZA - Sudafrica 21
BD - Bangladesh 20
IQ - Iraq 14
AT - Austria 10
EC - Ecuador 10
ES - Italia 10
ID - Indonesia 10
PK - Pakistan 9
EU - Europa 8
KR - Corea 8
VE - Venezuela 7
MA - Marocco 6
AZ - Azerbaigian 5
JM - Giamaica 5
KZ - Kazakistan 5
LT - Lituania 5
NP - Nepal 5
UZ - Uzbekistan 5
AE - Emirati Arabi Uniti 4
BG - Bulgaria 4
CO - Colombia 4
DK - Danimarca 4
DZ - Algeria 4
IL - Israele 4
SI - Slovenia 4
TN - Tunisia 4
BO - Bolivia 3
CL - Cile 3
JO - Giordania 3
KE - Kenya 3
PE - Perù 3
PY - Paraguay 3
SA - Arabia Saudita 3
SK - Slovacchia (Repubblica Slovacca) 3
BA - Bosnia-Erzegovina 2
EG - Egitto 2
HU - Ungheria 2
KG - Kirghizistan 2
MY - Malesia 2
NI - Nicaragua 2
OM - Oman 2
PH - Filippine 2
RO - Romania 2
TT - Trinidad e Tobago 2
AD - Andorra 1
AL - Albania 1
BN - Brunei Darussalam 1
BZ - Belize 1
CG - Congo 1
CR - Costa Rica 1
DO - Repubblica Dominicana 1
EE - Estonia 1
ET - Etiopia 1
GN - Guinea 1
GR - Grecia 1
GY - Guiana 1
HN - Honduras 1
LA - Repubblica Popolare Democratica del Laos 1
LI - Liechtenstein 1
MK - Macedonia 1
MN - Mongolia 1
MR - Mauritania 1
NO - Norvegia 1
NZ - Nuova Zelanda 1
RS - Serbia 1
SN - Senegal 1
SV - El Salvador 1
TW - Taiwan 1
TZ - Tanzania 1
UY - Uruguay 1
Totale 10.815
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Città #
Chandler 834
Jacksonville 760
Dublin 736
Singapore 641
Dallas 463
Hong Kong 313
Santa Clara 260
Boardman 235
Ashburn 188
Nanjing 167
Izmir 166
New York 134
Wilmington 126
San Mateo 116
Lawrence 103
Princeton 103
Ann Arbor 89
Beijing 73
Moscow 70
Munich 68
Los Angeles 66
The Dalles 59
Woodbridge 54
Milan 45
Nanchang 45
Rome 45
Falls Church 43
Columbus 42
Des Moines 41
Brno 39
São Paulo 39
Mountain View 37
Hefei 35
Shenyang 32
Ho Chi Minh City 31
Seattle 28
Hebei 26
Tokyo 26
Helsinki 24
Shanghai 24
Tianjin 24
Brussels 22
Warsaw 22
Bremen 21
Jiaxing 21
Amsterdam 20
Kunming 20
Denver 19
Verona 19
Houston 18
Brooklyn 17
Changsha 17
Hanoi 17
Chennai 16
Dong Ket 16
Montreal 15
Boston 14
Chicago 14
Guangzhou 14
Jinan 14
Falkenstein 12
Johannesburg 12
Norwalk 12
Belo Horizonte 11
London 11
Phoenix 11
San Francisco 11
Stockholm 11
Hangzhou 10
L’Aquila 10
Orem 10
Rio de Janeiro 10
Council Bluffs 9
Assago 8
Ningbo 8
Poplar 8
San Jose 8
Tappahannock 8
Zhengzhou 8
Campinas 7
Haiphong 7
Manchester 7
Ribeirão Preto 7
Washington 7
Ankara 6
Brasília 6
Charlotte 6
Curitiba 6
Dearborn 6
Düsseldorf 6
Florence 6
Jakarta 6
Mexico City 6
Pune 6
Taizhou 6
Toronto 6
Baghdad 5
Da Nang 5
Dhaka 5
Frankfurt am Main 5
Totale 7.101
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Nome #
QM/MM dynamics of a Peridinin model in triplet state in three prototypical solvents 164
Vibrational Spectra of Water Solutions of Azoles from QM/MM Calculations: Effects of Solvation 131
A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II 130
A molecular dynamics-guided mutagenesis identifies two aspartic acid residues involved in the pH-dependent activity of OG-OXIDASE 1 126
Mechanism of Oxygen Evolution and Mn4CaO5 Cluster Restoration in the Natural Water-Oxidizing Catalyst 121
Theoretical optical spectroscopy of complex systems 119
Magnetic interactions in the catalyst used by nature to split water: a DFT plus U multiscale study on the Mn4CaO5 core in photosystem II 118
Structural and dynamical characterization of the S4 state of the Kok-Joliot's cycle by means of QM/MM Molecular Dynamics Simulations 117
Role of Electron Correlation along the Water Splitting Reaction 116
Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics 115
Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations 114
Molecular dynamics of an asymmetric form of GabR, a bacterial transcriptional regulator 114
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule 113
Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study 113
Potassium and sodium binding to the outer mouth of the K+ channel 112
QM/MM Study of Rhodopsin 112
Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach 112
Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model 111
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz 110
Early Steps of the Intramolecular Signaling Pathway in Rhodopsin Explored by Molecular Dynamics Simulations 109
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities 108
Tetraethylammonium binding to the outer mouth of the KcsA potassium channel: implications for ion permeation 108
Hidden Hydration Structure of Halide Ions: An Insight into the Importance of Lone Pairs 108
One-Electron Oxidation of Methionine-Containing Dipeptides of Reverse Sequence: Sulfur versus Sulfoxide Characterized by IRMPD Spectroscopy and Static and Dynamics DFT Simulations 108
Molecular dynamics simulations and kinetic measurements provide insights into the structural requirements of substrate size-dependent specificity of oligogalacturonide oxidase 1 (OGOX1) 107
Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes 107
Polarization effects and charge transfer in the KcsA Potassium Channel 106
Contact Ion Pairs on a Protonated Azamacrocycle: The Role of the Anion Basicity 106
Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics 106
Valence-Bond states in dynamical Jahn-Teller Molecular systems 106
Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments 103
Water and potassium dynamics inside the KcsA K+ channel 103
π-Conjugation in trans -1,3-Butadiene: Static and dynamical electronic correlations described through quantum monte carlo 103
Protonated pyrimidine nucleosides probed by IRMPD spectroscopy 102
The dynamics of the special pair of chlorophylls of Photosystem II 102
Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo/Many Body Green's Function Theory level 101
Environmental Effects on Vibrational Properties of Carotenoids: Experiments and Calculations on Peridinin 101
Quantum Monte Carlo study of the Retinal Minimal Model C5H6NH+2 100
Magnetic coupling constants and vibrational frequencies by extended broken symmetry approach with hybrid functionals. 98
Asymmetric Environmental Effects on the Structure and Vibrations of cis-[Pt(NH3)(2)Cl-2] in Condensed Phases 98
Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II 98
QM/MM Simulation of the first step of vision 98
Molecular Vibrations of an Oxygen-Evolving Complex and Its Synthetic Mimic 98
Potassium permeation through the KcsA channel: a density functional study 97
Fermi Resonance as a Tool for Probing Peridinin Environment 97
Wave Function Adapted Hamiltonians for Quantum Computing 97
Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne 95
Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex 94
Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches 93
The Impact of Nitric Oxide Toxicity on the Evolution of the Glutathione Transferase Superfamily. A proposal for an evolutionary driving force. 93
Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics 93
Coordination numbers of K+ and Na+ ions inside the selectivity filter of the KcsA potassium channel: Insights from first principles molecular dynamics 92
Spin liquid ground state in a two dimensional non-frustrated spin model 92
Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene 92
Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces 92
Molecular Modelling and Simulations of Light-Harvesting Decanuclear Ru-Based Dendrimers for Artificial Photosynthesis 92
Experimental and theoretical study of intramolecular exchange in Ir2Rh2(CO)12 and Ir4(CO)11(m-SO2) 91
Protonated hexaazamacrocycles as selective K+ receptors 91
Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II 91
Reaction pathways by Quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene 90
Developing Improved Charge Sets for the Modeling of the KcsA K+ Channel Using QM/MM Electrostatic Potential 90
Copper binding sites in the C-terminal domain of mouse prion protein: a hybrid (QM/MM) molecular dynamics study 90
On the hydration properties of the bromide aqua ion: the interplay of first principle and classical Molecular Dynamics, and X-ray absorption spectroscopy 90
Protein field effect on the dark state of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo / Molecular Mechanics 90
Scanning Reactive Pathways with Orbital Biased Molecular Dynamics 90
Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst 89
Hydration Structure of the Quaternary Ammonium Cations 89
Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo 89
H/D Isotope Effects Reveal Factors Controlling Catalytic Activity in Co-Based Oxides for Water Oxidation 88
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 88
Phase separation in the 2D Hubbard model: a fixed-node quantum Monte Carlo study 87
The origin of the chemoselectivity in the Cp2TiCl2/MAO catalyst for the polymerization of 1,3-butadiene explored by Density Functional Theory 87
Extended wavefunctions for the Variational Quantum Eigensolver 87
On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II 87
Spin gap in low-dimensional Mott insulators with orbital degeneracy 86
Protonation state of the chromophore in the photoactive yellow protein 86
Pathway for Mn-cluster oxidation by tyrosine-Z in the S-2 state of photosystem II 86
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 86
Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base 85
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 84
Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes 84
Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions 83
Vibrational Signatures of S-Nitrosoglutathione as Gaseous, Protonated Species 83
Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States 83
Structural and dynamic insights into Mn4Ca cluster-depleted Photosystem II 83
Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications 83
A Molecular Spring for Vision 81
Tautomerism in liquid 1,2,3-triazole: a combined energy-dispersive X-ray diffraction, molecular dynamics, and FTIR study 81
Protonation States in a Cobalt-Oxide Catalyst for Water Oxidation: Fine Comparison of Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy Results 80
Properties of reactive oxygen species by quantum Monte Carlo 79
Atomistic texture of amorphous manganese oxides for electrochemical water splitting revealed by ab initio calculations combined with X-ray spectroscopy 78
Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition 78
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore 77
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo 77
The protonation state of the Glu-71/Asp-80 residues in the KcsA Potassium Channel. A first principles QM/MM Molecular Dynamics Study 76
Multiple Steering Molecular Dynamics Applied to Water at Alkali Ions 76
Spectroscopic evidence for a gas-phase librating G-quartet-Na+ complex 76
Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin 75
Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure, Dynamics and Reactivity 74
Spin-symmetrised structures and vibrational frequencies of iron-sulfur clusters 74
Totale 9.669
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Categoria #
all - tutte 48.629
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 48.629
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/2021556 0 0 0 0 0 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
2024/20252.096 63 41 168 48 252 201 319 223 374 65 194 148
2025/20262.452 203 514 462 589 473 211 0 0 0 0 0 0
Totale 10.968