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

GENONI, ALESSANDRO
 Distribuzione geografica
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Continente #
NA - Nord America 3.123
AS - Asia 2.848
EU - Europa 1.706
SA - Sud America 506
Continente sconosciuto - Info sul continente non disponibili 93
AF - Africa 88
OC - Oceania 3
Totale 8.367
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Nazione #
US - Stati Uniti d'America 3.044
CN - Cina 950
SG - Singapore 940
RU - Federazione Russa 860
IT - Italia 486
BR - Brasile 432
VN - Vietnam 329
KR - Corea 255
JP - Giappone 146
FR - Francia 83
DE - Germania 60
HK - Hong Kong 59
NL - Olanda 40
GB - Regno Unito 38
CA - Canada 36
AR - Argentina 29
BD - Bangladesh 26
CI - Costa d'Avorio 22
ID - Indonesia 21
IE - Irlanda 19
BJ - Benin 18
IN - India 18
ZA - Sudafrica 18
EC - Ecuador 16
AT - Austria 14
MX - Messico 14
IQ - Iraq 13
PL - Polonia 13
SE - Svezia 13
TR - Turchia 13
ES - Italia 12
FI - Finlandia 12
CH - Svizzera 10
MA - Marocco 10
BE - Belgio 8
CO - Colombia 8
JO - Giordania 7
TW - Taiwan 7
UA - Ucraina 7
UZ - Uzbekistan 7
GR - Grecia 6
JM - Giamaica 6
OM - Oman 6
PK - Pakistan 6
PY - Paraguay 6
SA - Arabia Saudita 6
AE - Emirati Arabi Uniti 5
DZ - Algeria 5
IL - Israele 5
PE - Perù 5
PH - Filippine 5
VE - Venezuela 5
AL - Albania 4
AZ - Azerbaigian 4
HN - Honduras 4
PT - Portogallo 4
BG - Bulgaria 3
CR - Costa Rica 3
HU - Ungheria 3
KE - Kenya 3
LT - Lituania 3
NP - Nepal 3
BB - Barbados 2
BM - Bermuda 2
CL - Cile 2
CZ - Repubblica Ceca 2
EG - Egitto 2
GH - Ghana 2
GT - Guatemala 2
IR - Iran 2
KH - Cambogia 2
MY - Malesia 2
NZ - Nuova Zelanda 2
PA - Panama 2
SV - El Salvador 2
TH - Thailandia 2
TN - Tunisia 2
UY - Uruguay 2
XK - ???statistics.table.value.countryCode.XK??? 2
AM - Armenia 1
AU - Australia 1
BA - Bosnia-Erzegovina 1
BF - Burkina Faso 1
BH - Bahrain 1
BO - Bolivia 1
BW - Botswana 1
CW - ???statistics.table.value.countryCode.CW??? 1
GA - Gabon 1
GD - Grenada 1
GE - Georgia 1
GI - Gibilterra 1
GN - Guinea 1
GP - Guadalupe 1
HR - Croazia 1
KN - Saint Kitts e Nevis 1
KW - Kuwait 1
KZ - Kazakistan 1
LA - Repubblica Popolare Democratica del Laos 1
LK - Sri Lanka 1
LY - Libia 1
Totale 8.268
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Città #
Singapore 631
Ashburn 567
Hefei 366
San Jose 331
Milan 305
Dallas 304
Seoul 252
Santa Clara 237
Beijing 155
Council Bluffs 147
Tokyo 146
Moscow 136
Ho Chi Minh City 110
Boardman 88
North Charleston 77
The Dalles 71
Kent 68
Hanoi 61
Lauterbourg 61
Fairfield 60
Hong Kong 57
Los Angeles 49
Las Vegas 42
New York 38
Houston 37
Rome 37
Frisco 34
Buffalo 33
Chandler 33
Seattle 33
Orem 31
Cambridge 30
Woodbridge 30
São Paulo 27
Ann Arbor 26
Salt Lake City 26
Frankfurt am Main 25
Redondo Beach 24
Amsterdam 23
Wilmington 22
Abidjan 20
Brooklyn 19
Haiphong 19
Cotonou 18
Dublin 18
Da Nang 16
Turin 16
Belo Horizonte 14
Rio de Janeiro 14
Shanghai 14
Atlanta 13
Chicago 13
Jakarta 13
Warsaw 13
Medford 12
Vienna 12
Dong Ket 11
Lawrence 11
London 11
Manchester 11
Denver 10
Dearborn 9
Montreal 9
Porto Alegre 9
Shenzhen 9
Tianjin 9
Toronto 9
Curitiba 8
Guangzhou 8
Guayaquil 8
Helsinki 8
Springfield 8
Amman 7
Brasília 7
Buenos Aires 7
Indpls 7
Nuremberg 7
Thái Bình 7
Brussels 6
Campinas 6
Johannesburg 6
Mexico City 6
Mumbai 6
Phoenix 6
Taipei 6
Tashkent 6
Zhengzhou 6
Ankara 5
Boston 5
Chennai 5
Dhaka 5
Florence 5
Goiânia 5
Palermo 5
Quito 5
Redmond 5
Asunción 4
Baku 4
Bern 4
Bologna 4
Totale 5.379
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Nome #
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets 277
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines 271
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-beta Sequence 7-12 203
Analysis of crystal field effects and interactions using X-ray restrained ELMOs 180
Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation? 165
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach 165
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins 160
Current developments and trends in quantum crystallography 154
Exploring charge density analysis in crystals at high pressure: Data collection, data analysis and advanced modelling 145
The N,N,N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies 138
Accurate crystal structures and chemical properties from NoSpherA2 135
Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations 134
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals 129
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy 129
Quantum Crystallography: Current Developments and Future Perspectives 129
Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality 127
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques 126
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses 123
The N-methylammonium moiety: a tetrel bond donor site 123
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions 122
A valence bond description of the bromine halogen bond 121
A novel approach to relax extremely localized molecular orbitals: The extremely localized molecular orbital-valence bond method 119
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors 119
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit 118
A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method 117
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography 116
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation 114
The advanced treatment of hydrogen bonding in quantum crystallography 114
Remarks on X-ray constrained/restrained wavefunction fitting 112
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 111
Monte Carlo simulations of electron interactions with the DNA molecule: A complete set of physics models for Geant4-DNA simulation toolkit 111
lamaGOET: an interface for quantum crystallography 110
Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density 110
Extremely localized molecular orbitals: Theory and applications 106
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: Spin-resolved electron density of an organic radical 105
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals 105
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction 105
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems 104
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks 102
Visualizing Correlation Regions: The Case of the Ammonia Crystal 101
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal 99
NCI-ELMO: A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems 99
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions 97
Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us? 96
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective 96
Quantum crystallography 95
Quantum Crystallography in the Last Decade: Developments and Outlooks 95
Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation 94
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 93
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster 93
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique 93
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallography 92
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach 91
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods 90
Molecular orbitals strictly localized on small molecular fragments from X-ray diffraction data 89
X-ray constrained spin-coupled technique: Theoretical details and further assessment of the method 89
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ 89
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data 88
In vivo and in silico evaluation of a new nitric oxide donor, S,S′-dinitrosobucillamine 88
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations 88
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules 87
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability 86
Identification of domains in protein structures from the analysis of intramolecular interactions 86
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials 86
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes 83
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability 81
X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization 80
X-ray constrained extremely localized molecular orbitals: Theory and critical assessment of the new technique 77
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals 76
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation 72
Extension of the Jordan-Wigner mapping to nonorthogonal spin orbitals for quantum computing application to valence bond approaches 70
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks 70
Ligand selection from the analysis of protein conformational substates: New leads targeting the N-terminal domain of Hsp90 68
Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange–correlation functionals based on X-ray data 64
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains 63
Periodic Hirshfeld Atom Refinement 9
Totale 8.367
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Categoria #
all - tutte 21.696
article - articoli 21.563
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 133
Totale 43.392
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2021/202289 0 2 4 8 14 4 5 5 11 0 21 15
2022/202384 12 7 3 7 12 15 0 3 13 6 4 2
2023/2024109 3 20 6 14 6 21 7 9 0 9 2 12
2024/20251.484 112 7 66 6 179 184 53 88 155 74 202 358
2025/20265.910 828 872 756 651 214 208 644 304 494 495 125 319
2026/2027348 189 159 0 0 0 0 0 0 0 0 0 0
Totale 8.367