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

GENONI, ALESSANDRO
 Distribuzione geografica
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Continente #
AS - Asia 1.829
NA - Nord America 1.590
EU - Europa 1.073
SA - Sud America 443
AF - Africa 74
Continente sconosciuto - Info sul continente non disponibili 2
OC - Oceania 2
Totale 5.013
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Nazione #
US - Stati Uniti d'America 1.561
RU - Federazione Russa 774
SG - Singapore 748
CN - Cina 708
BR - Brasile 377
VN - Vietnam 121
KR - Corea 105
IT - Italia 77
DE - Germania 44
NL - Olanda 39
AR - Argentina 29
HK - Hong Kong 27
GB - Regno Unito 22
BD - Bangladesh 20
CI - Costa d'Avorio 20
BJ - Benin 18
FR - Francia 15
IE - Irlanda 14
AT - Austria 13
EC - Ecuador 13
FI - Finlandia 12
ID - Indonesia 12
IN - India 12
CA - Canada 11
TR - Turchia 11
ZA - Sudafrica 11
PL - Polonia 10
ES - Italia 9
MA - Marocco 9
MX - Messico 9
SE - Svezia 9
BE - Belgio 7
CO - Colombia 7
IQ - Iraq 6
JP - Giappone 6
PY - Paraguay 6
UA - Ucraina 6
UZ - Uzbekistan 6
IL - Israele 5
PK - Pakistan 5
SA - Arabia Saudita 5
AE - Emirati Arabi Uniti 4
DZ - Algeria 4
JO - Giordania 4
OM - Oman 4
VE - Venezuela 4
AL - Albania 3
BG - Bulgaria 3
HU - Ungheria 3
LT - Lituania 3
PE - Perù 3
PT - Portogallo 3
AZ - Azerbaigian 2
CL - Cile 2
CZ - Repubblica Ceca 2
GH - Ghana 2
HN - Honduras 2
IR - Iran 2
KE - Kenya 2
KH - Cambogia 2
MY - Malesia 2
NP - Nepal 2
NZ - Nuova Zelanda 2
PH - Filippine 2
TN - Tunisia 2
AM - Armenia 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
JM - Giamaica 1
KW - Kuwait 1
KZ - Kazakistan 1
LA - Repubblica Popolare Democratica del Laos 1
LK - Sri Lanka 1
MD - Moldavia 1
ML - Mali 1
NI - Nicaragua 1
PA - Panama 1
RO - Romania 1
SV - El Salvador 1
SY - Repubblica araba siriana 1
UY - Uruguay 1
XK - ???statistics.table.value.countryCode.XK??? 1
Totale 5.013
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Città #
Singapore 537
Hefei 359
Ashburn 287
Dallas 279
Santa Clara 204
Beijing 124
Moscow 119
Seoul 104
Boardman 67
Kent 67
Milan 52
Council Bluffs 50
Ho Chi Minh City 45
San Jose 44
Buffalo 30
Los Angeles 30
Hong Kong 27
Fairfield 26
New York 25
São Paulo 25
Redondo Beach 24
The Dalles 24
Ann Arbor 23
Amsterdam 22
Chandler 19
Hanoi 19
Abidjan 18
Cotonou 18
Frankfurt am Main 17
Orem 17
Belo Horizonte 14
Brooklyn 14
Dublin 13
Seattle 13
Cambridge 12
Rio de Janeiro 12
Vienna 12
Chicago 11
Houston 11
Warsaw 10
Denver 9
Porto Alegre 9
Wilmington 9
Haiphong 8
Helsinki 8
Jakarta 8
Atlanta 7
Buenos Aires 7
Guangzhou 7
London 7
Woodbridge 7
Campinas 6
Guayaquil 6
Montreal 6
Nuremberg 6
Shanghai 6
Springfield 6
Tashkent 6
Tokyo 6
Ankara 5
Brasília 5
Brussels 5
Chennai 5
Dhaka 5
Lawrence 5
Manchester 5
Phoenix 5
Quito 5
Amman 4
Asunción 4
Boston 4
Casablanca 4
Curitiba 4
Da Nang 4
Erlangen 4
Goiânia 4
Johannesburg 4
Medford 4
Metz 4
Munich 4
Poplar 4
Rome 4
Salvador 4
San Fernando 4
Seeb 4
Shenzhen 4
Stockholm 4
São Gonçalo 4
Thái Bình 4
Uberlândia 4
Volta Redonda 4
Americana 3
Bom Despacho 3
Chapecó 3
Charlotte 3
Contagem 3
Cotia 3
Dearborn 3
Dronten 3
Erbil 3
Totale 3.122
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Nome #
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines 213
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-beta Sequence 7-12 158
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach 128
The N,N,N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies 113
Current developments and trends in quantum crystallography 104
The N-methylammonium moiety: a tetrel bond donor site 101
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals 98
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy 97
Accurate crystal structures and chemical properties from NoSpherA2 97
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins 96
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors 95
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit 95
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses 93
A valence bond description of the bromine halogen bond 93
A novel approach to relax extremely localized molecular orbitals: The extremely localized molecular orbital-valence bond method 90
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography 90
A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method 89
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions 89
Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations 89
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation 87
Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality 85
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques 85
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets 84
lamaGOET: an interface for quantum crystallography 83
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction 81
Extremely localized molecular orbitals: Theory and applications 78
Quantum Crystallography in the Last Decade: Developments and Outlooks 77
Monte Carlo simulations of electron interactions with the DNA molecule: A complete set of physics models for Geant4-DNA simulation toolkit 76
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems 69
Visualizing Correlation Regions: The Case of the Ammonia Crystal 69
Remarks on X-ray constrained/restrained wavefunction fitting 69
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks 69
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 69
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions 68
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 68
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals 67
Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us? 66
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallography 66
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: Spin-resolved electron density of an organic radical 66
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules 65
The advanced treatment of hydrogen bonding in quantum crystallography 65
NCI-ELMO: A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems 65
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal 63
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations 63
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective 62
X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization 62
Quantum crystallography 62
X-ray constrained spin-coupled technique: Theoretical details and further assessment of the method 61
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ 61
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster 60
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods 59
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data 59
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach 58
In vivo and in silico evaluation of a new nitric oxide donor, S,S′-dinitrosobucillamine 58
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability 57
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique 57
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals 56
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes 56
Molecular orbitals strictly localized on small molecular fragments from X-ray diffraction data 56
Identification of domains in protein structures from the analysis of intramolecular interactions 55
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation 54
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials 53
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability 52
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains 39
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks 38
Ligand selection from the analysis of protein conformational substates: New leads targeting the N-terminal domain of Hsp90 34
Extension of the Jordan-Wigner mapping to nonorthogonal spin orbitals for quantum computing application to valence bond approaches 29
Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange–correlation functionals based on X-ray data 23
Totale 5.092
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Categoria #
all - tutte 13.730
article - articoli 13.678
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 52
Totale 27.460
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/202129 0 0 0 0 0 0 2 3 5 5 5 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
2024/20251.364 107 6 66 5 158 164 49 80 138 66 190 335
2025/20263.408 762 795 725 609 192 193 132 0 0 0 0 0
Totale 5.092