RE.PUBLIC@POLIMI pubblicazioni di ricerca del Politecnico di Milano

GENONI, ALESSANDRO
 Distribuzione geografica
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Continente #
AS - Asia 2.642
NA - Nord America 2.400
EU - Europa 1.317
SA - Sud America 464
AF - Africa 81
Continente sconosciuto - Info sul continente non disponibili 3
OC - Oceania 3
Totale 6.910
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Nazione #
US - Stati Uniti d'America 2.358
CN - Cina 911
SG - Singapore 887
RU - Federazione Russa 781
BR - Brasile 394
VN - Vietnam 258
KR - Corea 245
IT - Italia 226
JP - Giappone 143
FR - Francia 75
DE - Germania 56
HK - Hong Kong 48
NL - Olanda 39
GB - Regno Unito 34
AR - Argentina 29
BD - Bangladesh 26
CI - Costa d'Avorio 21
CA - Canada 19
BJ - Benin 18
IN - India 16
ID - Indonesia 15
EC - Ecuador 14
IE - Irlanda 14
AT - Austria 13
ZA - Sudafrica 13
FI - Finlandia 12
IQ - Iraq 12
PL - Polonia 12
TR - Turchia 12
ES - Italia 11
MX - Messico 11
MA - Marocco 10
SE - Svezia 9
CO - Colombia 8
BE - Belgio 7
UZ - Uzbekistan 7
OM - Oman 6
PK - Pakistan 6
PY - Paraguay 6
SA - Arabia Saudita 6
UA - Ucraina 6
DZ - Algeria 5
IL - Israele 5
JO - Giordania 5
PH - Filippine 5
VE - Venezuela 5
AE - Emirati Arabi Uniti 4
PE - Perù 4
AL - Albania 3
AZ - Azerbaigian 3
BG - Bulgaria 3
HU - Ungheria 3
JM - Giamaica 3
KE - Kenya 3
LT - Lituania 3
PT - Portogallo 3
TW - Taiwan 3
CL - Cile 2
CZ - Repubblica Ceca 2
GH - Ghana 2
HN - Honduras 2
IR - Iran 2
KH - Cambogia 2
MY - Malesia 2
NP - Nepal 2
NZ - Nuova Zelanda 2
PA - Panama 2
TH - Thailandia 2
TN - Tunisia 2
XK - ???statistics.table.value.countryCode.XK??? 2
AM - Armenia 1
AU - Australia 1
BF - Burkina Faso 1
BH - Bahrain 1
BM - Bermuda 1
BO - Bolivia 1
BW - Botswana 1
CH - Svizzera 1
CR - Costa Rica 1
CW - ???statistics.table.value.countryCode.CW??? 1
EG - Egitto 1
GA - Gabon 1
GE - Georgia 1
GI - Gibilterra 1
GN - Guinea 1
GR - Grecia 1
GT - Guatemala 1
KW - Kuwait 1
KZ - Kazakistan 1
LA - Repubblica Popolare Democratica del Laos 1
LK - Sri Lanka 1
LY - Libia 1
MD - Moldavia 1
ML - Mali 1
NI - Nicaragua 1
QA - Qatar 1
RO - Romania 1
SV - El Salvador 1
SY - Repubblica araba siriana 1
UY - Uruguay 1
Totale 6.910
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Città #
Singapore 597
Ashburn 469
Hefei 366
San Jose 310
Dallas 286
Seoul 243
Santa Clara 211
Milan 195
Tokyo 143
Beijing 140
Moscow 122
Ho Chi Minh City 86
Boardman 81
North Charleston 77
Council Bluffs 69
Kent 68
The Dalles 62
Lauterbourg 56
Hanoi 48
Hong Kong 48
Los Angeles 39
Las Vegas 38
New York 33
Buffalo 32
Orem 30
Fairfield 26
São Paulo 26
Redondo Beach 24
Salt Lake City 24
Ann Arbor 23
Frankfurt am Main 23
Amsterdam 22
Abidjan 19
Chandler 19
Cotonou 18
Brooklyn 15
Haiphong 15
Belo Horizonte 14
Houston 14
Chicago 13
Da Nang 13
Dublin 13
Rio de Janeiro 13
Seattle 13
Cambridge 12
Vienna 12
Warsaw 12
Denver 10
Frisco 10
London 10
Shanghai 10
Atlanta 9
Jakarta 9
Manchester 9
Porto Alegre 9
Shenzhen 9
Wilmington 9
Guangzhou 8
Helsinki 8
Brasília 7
Buenos Aires 7
Guayaquil 7
Montreal 7
Tianjin 7
Woodbridge 7
Campinas 6
Nuremberg 6
Springfield 6
Tashkent 6
Amman 5
Ankara 5
Brussels 5
Chennai 5
Curitiba 5
Dhaka 5
Johannesburg 5
Lawrence 5
Phoenix 5
Quito 5
Rome 5
Thái Bình 5
Toronto 5
Asunción 4
Boston 4
Cao Lanh 4
Casablanca 4
Erbil 4
Erlangen 4
Goiânia 4
Hangzhou 4
Medford 4
Metz 4
Mexico City 4
Mumbai 4
Munich 4
Poplar 4
Salvador 4
San Fernando 4
Seeb 4
Stockholm 4
Totale 4.545
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Nome #
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines 269
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets 244
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-beta Sequence 7-12 198
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach 160
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins 152
Current developments and trends in quantum crystallography 139
The N,N,N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies 133
Accurate crystal structures and chemical properties from NoSpherA2 130
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals 122
The N-methylammonium moiety: a tetrel bond donor site 121
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses 120
Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations 120
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy 119
A valence bond description of the bromine halogen bond 118
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors 117
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions 117
A novel approach to relax extremely localized molecular orbitals: The extremely localized molecular orbital-valence bond method 115
Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality 115
A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method 114
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit 114
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques 111
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation 110
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography 109
Extremely localized molecular orbitals: Theory and applications 103
Monte Carlo simulations of electron interactions with the DNA molecule: A complete set of physics models for Geant4-DNA simulation toolkit 103
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction 103
lamaGOET: an interface for quantum crystallography 102
The advanced treatment of hydrogen bonding in quantum crystallography 102
Remarks on X-ray constrained/restrained wavefunction fitting 99
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 99
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: Spin-resolved electron density of an organic radical 96
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals 96
Visualizing Correlation Regions: The Case of the Ammonia Crystal 94
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks 94
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems 93
Quantum Crystallography in the Last Decade: Developments and Outlooks 92
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions 89
NCI-ELMO: A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems 89
Quantum crystallography 88
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal 87
Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us? 86
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallography 86
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster 86
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 85
In vivo and in silico evaluation of a new nitric oxide donor, S,S′-dinitrosobucillamine 85
X-ray constrained spin-coupled technique: Theoretical details and further assessment of the method 84
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective 83
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods 83
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique 82
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ 82
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach 81
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules 81
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data 80
Molecular orbitals strictly localized on small molecular fragments from X-ray diffraction data 80
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations 80
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability 79
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes 76
X-ray constrained extremely localized molecular orbitals: Theory and critical assessment of the new technique 75
X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization 75
Identification of domains in protein structures from the analysis of intramolecular interactions 75
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials 75
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals 69
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability 69
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation 69
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks 62
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains 60
Extension of the Jordan-Wigner mapping to nonorthogonal spin orbitals for quantum computing application to valence bond approaches 57
Ligand selection from the analysis of protein conformational substates: New leads targeting the N-terminal domain of Hsp90 56
Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange–correlation functionals based on X-ray data 50
Periodic Hirshfeld Atom Refinement 4
Totale 6.991
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Categoria #
all - tutte 17.563
article - articoli 17.459
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 104
Totale 35.126
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20219 0 0 0 0 0 0 0 0 0 0 0 9
2021/202255 3 0 3 5 9 2 4 2 5 0 14 8
2022/202354 6 4 1 4 11 9 0 1 8 4 4 2
2023/202487 2 14 6 14 6 18 6 7 0 5 2 7
2024/20251.375 109 6 66 5 159 166 49 80 139 66 192 338
2025/20265.296 768 806 740 619 194 196 571 286 481 456 119 60
Totale 6.991