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

GENONI, ALESSANDRO
 Distribuzione geografica
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Continente #
NA - Nord America 181
EU - Europa 70
AS - Asia 66
AF - Africa 19
SA - Sud America 1
Totale 337
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Nazione #
US - Stati Uniti d'America 180
SG - Singapore 55
BJ - Benin 18
IT - Italia 16
DE - Germania 15
FR - Francia 7
ES - Italia 6
IE - Irlanda 6
FI - Finlandia 5
NL - Olanda 5
CN - Cina 4
BE - Belgio 3
SE - Svezia 2
VN - Vietnam 2
BG - Bulgaria 1
CZ - Repubblica Ceca 1
EC - Ecuador 1
EG - Egitto 1
IR - Iran 1
JM - Giamaica 1
JO - Giordania 1
KH - Cambogia 1
LA - Repubblica Popolare Democratica del Laos 1
LT - Lituania 1
MY - Malesia 1
PT - Portogallo 1
RO - Romania 1
Totale 337
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Città #
Boardman 64
Singapore 31
Cotonou 18
Ashburn 11
Chandler 9
Frankfurt am Main 9
Milan 9
Dublin 6
Fairfield 6
Santa Clara 6
Springfield 6
Helsinki 5
New York 5
Amsterdam 4
Seattle 4
Ann Arbor 3
Cambridge 3
Fort Worth 3
Málaga 3
Redmond 3
San Fernando 3
Woodbridge 3
Brussels 2
Houston 2
Lawrence 2
Los Angeles 2
Metz 2
Munich 2
Prineville 2
West Jordan 2
Wilmington 2
Würzburg 2
Amman 1
Argenteuil 1
Cairo 1
Cologne 1
Columbus 1
Council Bluffs 1
Fresnes 1
Groningen 1
Lisbon 1
Medford 1
Miami 1
Nave 1
Nuremberg 1
Phnom Penh 1
Prague 1
Princeton 1
Quito 1
Shanghai 1
Sofia 1
Vientiane 1
Totale 254
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Nome #
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-beta Sequence 7-12 70
Quantum Crystallography in the Last Decade: Developments and Outlooks 36
The N-methylammonium moiety: a tetrel bond donor site 26
The N,N,N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies 24
Current developments and trends in quantum crystallography 11
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit 9
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques 9
A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method 6
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: Spin-resolved electron density of an organic radical 6
Extremely localized molecular orbitals: Theory and applications 6
Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality 6
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 6
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals 6
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach 6
The advanced treatment of hydrogen bonding in quantum crystallography 6
In vivo and in silico evaluation of a new nitric oxide donor, S,S′-dinitrosobucillamine 6
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials 6
lamaGOET: an interface for quantum crystallography 5
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions 5
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation 5
Molecular orbitals strictly localized on small molecular fragments from X-ray diffraction data 5
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal 5
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy 5
Accurate crystal structures and chemical properties from NoSpherA2 5
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography 5
Identification of domains in protein structures from the analysis of intramolecular interactions 5
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins 4
A novel approach to relax extremely localized molecular orbitals: The extremely localized molecular orbital-valence bond method 4
Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us? 4
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems 4
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals 4
Remarks on X-ray constrained/restrained wavefunction fitting 4
X-ray constrained spin-coupled technique: Theoretical details and further assessment of the method 4
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules 4
Monte Carlo simulations of electron interactions with the DNA molecule: A complete set of physics models for Geant4-DNA simulation toolkit 4
Quantum crystallography 4
Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations 4
NCI-ELMO: A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems 4
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability 4
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation 4
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses 3
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors 3
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective 3
X-ray constrained extremely localized molecular orbitals: Theory and critical assessment of the new technique 3
Visualizing Correlation Regions: The Case of the Ammonia Crystal 3
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets 3
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks 3
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster 3
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes 3
X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization 3
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability 3
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction 3
A valence bond description of the bromine halogen bond 3
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains 3
Ligand selection from the analysis of protein conformational substates: New leads targeting the N-terminal domain of Hsp90 3
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallography 2
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals 2
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods 2
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data 2
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions 2
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 2
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique 2
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ 2
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks 2
Totale 409
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Categoria #
all - tutte 3.082
article - articoli 3.082
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 6.164
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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
2020/202130 0 2 8 4 0 1 1 3 4 1 2 4
2021/202217 0 0 2 2 2 0 0 2 1 0 5 3
2022/202333 3 2 0 2 7 5 0 1 5 4 3 1
2023/202456 2 8 4 10 5 8 6 4 0 4 0 5
2024/2025269 109 6 66 4 84 0 0 0 0 0 0 0
Totale 409