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

GENONI, ALESSANDRO
 Distribuzione geografica
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Continente #
NA - Nord America 500
AS - Asia 194
EU - Europa 162
SA - Sud America 72
AF - Africa 25
OC - Oceania 1
Totale 954
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Nazione #
US - Stati Uniti d'America 497
SG - Singapore 157
BR - Brasile 63
IT - Italia 53
DE - Germania 29
NL - Olanda 21
BJ - Benin 18
FR - Francia 12
IE - Irlanda 10
ID - Indonesia 8
CN - Cina 7
ES - Italia 6
FI - Finlandia 6
AT - Austria 5
VN - Vietnam 4
AR - Argentina 3
BE - Belgio 3
PK - Pakistan 3
SE - Svezia 3
AL - Albania 2
BG - Bulgaria 2
DZ - Algeria 2
EC - Ecuador 2
IR - Iran 2
KH - Cambogia 2
LT - Lituania 2
PT - Portogallo 2
VE - Venezuela 2
ZA - Sudafrica 2
AZ - Azerbaigian 1
BO - Bolivia 1
CA - Canada 1
CH - Svizzera 1
CI - Costa d'Avorio 1
CZ - Repubblica Ceca 1
EG - Egitto 1
GB - Regno Unito 1
GE - Georgia 1
HK - Hong Kong 1
HU - Ungheria 1
IL - Israele 1
JM - Giamaica 1
JO - Giordania 1
KW - Kuwait 1
LA - Repubblica Popolare Democratica del Laos 1
LK - Sri Lanka 1
MA - Marocco 1
MX - Messico 1
MY - Malesia 1
NZ - Nuova Zelanda 1
PH - Filippine 1
RO - Romania 1
RU - Federazione Russa 1
SA - Arabia Saudita 1
UY - Uruguay 1
Totale 954
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Città #
Santa Clara 198
Singapore 114
Boardman 66
Council Bluffs 50
Milan 42
The Dalles 22
Amsterdam 20
Cotonou 18
Ashburn 13
Fairfield 11
Dublin 10
Frankfurt am Main 10
Chandler 9
Jakarta 8
Seattle 8
Helsinki 6
Nuremberg 6
Springfield 6
Cambridge 5
New York 5
Woodbridge 5
Ann Arbor 4
Erlangen 4
Lawrence 4
Los Angeles 4
Metz 4
São Paulo 4
Vienna 4
Fort Worth 3
Houston 3
Lyon 3
Medford 3
Málaga 3
Redmond 3
Rio de Janeiro 3
San Fernando 3
São José do Rio Preto 3
Wilmington 3
Belo Horizonte 2
Brasília 2
Brussels 2
Columbus 2
Cotia 2
Heinsberg 2
Ho Chi Minh City 2
Munich 2
Phnom Penh 2
Porto Alegre 2
Prineville 2
Sofia 2
Sorocaba 2
Tirana 2
Turin 2
West Jordan 2
Würzburg 2
'Asir Region 1
Aachen 1
Abidjan 1
Algiers 1
Ambrolauri 1
Amman 1
Argenteuil 1
As Sālimīyah 1
Auckland 1
Baku 1
Baoding 1
Batatais 1
Belém 1
Botucatu 1
Bovisio Masciago 1
Cairo 1
Campinas 1
Campos dos Goytacazes 1
Cape Town 1
Caraguatatuba 1
Carapicuíba 1
Caxias 1
Chapecó 1
Chicago 1
Chiswick 1
Ciudad Guayana 1
Cologne 1
Colombo 1
Cosmópolis 1
Dombóvár 1
Dourados 1
Düsseldorf 1
Feira de Santana 1
Foz do Iguaçu 1
Fresnes 1
Gatchina 1
Goiânia 1
Gramado 1
Groningen 1
Guarulhos 1
Hong Kong 1
Ibirité 1
Ibiúna 1
Indaiabira 1
Islamabad 1
Totale 769
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Nome #
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-beta Sequence 7-12 88
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach 56
Quantum Crystallography in the Last Decade: Developments and Outlooks 46
The N-methylammonium moiety: a tetrel bond donor site 37
The N,N,N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies 36
X-ray restrained extremely localized molecular orbitals for the embedding of quantum mechanical calculations 27
Accurate crystal structures and chemical properties from NoSpherA2 24
Current developments and trends in quantum crystallography 23
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets 21
A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method 19
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 19
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit 19
A novel approach to relax extremely localized molecular orbitals: The extremely localized molecular orbital-valence bond method 18
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography 18
lamaGOET: an interface for quantum crystallography 17
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions 16
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals 16
Identification of domains in protein structures from the analysis of intramolecular interactions 16
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques 16
Extremely localized molecular orbitals: Theory and applications 15
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation 15
In vivo and in silico evaluation of a new nitric oxide donor, S,S′-dinitrosobucillamine 15
A valence bond description of the bromine halogen bond 15
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins 14
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors 14
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: Spin-resolved electron density of an organic radical 14
Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality 14
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules 14
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy 14
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallography 13
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 13
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction 13
Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations 13
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials 13
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation 13
Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us? 12
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses 12
The advanced treatment of hydrogen bonding in quantum crystallography 12
Remarks on X-ray constrained/restrained wavefunction fitting 11
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach 11
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal 11
Quantum crystallography 11
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability 11
Molecular orbitals strictly localized on small molecular fragments from X-ray diffraction data 10
Monte Carlo simulations of electron interactions with the DNA molecule: A complete set of physics models for Geant4-DNA simulation toolkit 10
NCI-ELMO: A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems 10
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems 9
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals 9
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks 9
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster 9
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes 9
X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization 9
X-ray constrained spin-coupled technique: Theoretical details and further assessment of the method 9
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability 9
Ligand selection from the analysis of protein conformational substates: New leads targeting the N-terminal domain of Hsp90 9
Visualizing Correlation Regions: The Case of the Ammonia Crystal 8
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains 8
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks 8
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective 7
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods 7
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions 7
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique 7
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ 7
X-ray constrained extremely localized molecular orbitals: Theory and critical assessment of the new technique 6
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals 5
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data 5
Totale 1.031
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Categoria #
all - tutte 5.824
article - articoli 5.824
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 11.648
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/20204 0 0 0 0 0 0 0 0 0 0 0 4
2020/202134 0 2 8 4 0 1 1 3 4 4 3 4
2021/202242 2 0 3 4 7 1 2 2 3 0 13 5
2022/202337 5 2 0 2 8 5 0 1 5 4 4 1
2023/202474 2 11 6 13 6 12 6 5 0 4 2 7
2024/2025840 109 6 66 4 156 164 49 78 137 65 6 0
Totale 1.031