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

GENONI, ALESSANDRO
 Distribuzione geografica
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Continente #
NA - Nord America 76
AS - Asia 58
EU - Europa 31
AF - Africa 18
Totale 183
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Nazione #
US - Stati Uniti d'America 76
SG - Singapore 51
BJ - Benin 18
IT - Italia 8
FR - Francia 5
CN - Cina 4
FI - Finlandia 4
IE - Irlanda 4
ES - Italia 3
BE - Belgio 2
NL - Olanda 2
SE - Svezia 2
VN - Vietnam 2
DE - Germania 1
JO - Giordania 1
Totale 183
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Città #
Singapore 29
Cotonou 18
Ashburn 9
Chandler 9
Springfield 6
Dublin 4
Fairfield 4
Helsinki 4
Milan 3
Málaga 3
Redmond 3
Fort Worth 2
Metz 2
New York 2
Seattle 2
West Jordan 2
Woodbridge 2
Amman 1
Amsterdam 1
Ann Arbor 1
Brussels 1
Cambridge 1
Columbus 1
Council Bluffs 1
Groningen 1
Lawrence 1
Medford 1
Miami 1
Nuremberg 1
Prineville 1
Shanghai 1
Totale 118
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Nome #
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-beta Sequence 7-12 62
The N-methylammonium moiety: a tetrel bond donor site 24
The N,N,N-trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies 23
Current developments and trends in quantum crystallography 8
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques 7
Electron transport in DNA bases: An extension of the Geant4-DNA Monte Carlo toolkit 6
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials 5
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: Spin-resolved electron density of an organic radical 4
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 4
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach 4
Molecular orbitals strictly localized on small molecular fragments from X-ray diffraction data 4
Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal 4
lamaGOET: an interface for quantum crystallography 3
A first-prototype multi-determinant X-ray constrained wavefunction approach: The X-ray constrained extremely localized molecular orbital-valence bond method 3
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation 3
Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality 3
X-ray constrained spin-coupled technique: Theoretical details and further assessment of the method 3
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules 3
Monte Carlo simulations of electron interactions with the DNA molecule: A complete set of physics models for Geant4-DNA simulation toolkit 3
Quantum crystallography 3
In vivo and in silico evaluation of a new nitric oxide donor, S,S′-dinitrosobucillamine 3
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography 3
NCI-ELMO: A New Method to Quickly and Accurately Detect Noncovalent Interactions in Biosystems 3
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability 3
Quantum mechanics/extremely localized molecular orbital embedding technique: Theoretical foundations and further validation 3
Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins 2
A novel approach to relax extremely localized molecular orbitals: The extremely localized molecular orbital-valence bond method 2
Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us? 2
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems 2
X-ray constrained extremely localized molecular orbitals: Theory and critical assessment of the new technique 2
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals 2
Extremely localized molecular orbitals: Theory and applications 2
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions 2
Remarks on X-ray constrained/restrained wavefunction fitting 2
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets 2
DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals 2
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks 2
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster 2
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes 2
X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization 2
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability 2
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy 2
The advanced treatment of hydrogen bonding in quantum crystallography 2
Accurate crystal structures and chemical properties from NoSpherA2 2
Mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains 2
Ligand selection from the analysis of protein conformational substates: New leads targeting the N-terminal domain of Hsp90 2
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallography 1
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses 1
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors 1
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective 1
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals 1
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods 1
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data 1
Visualizing Correlation Regions: The Case of the Ammonia Crystal 1
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions 1
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density 1
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction 1
Identification of domains in protein structures from the analysis of intramolecular interactions 1
A valence bond description of the bromine halogen bond 1
Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations 1
Initial maximum overlap method for large systems by the quantum mechanics/extremely localized molecular orbital embedding technique 1
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ 1
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks 1
Totale 253
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Categoria #
all - tutte 1.922
article - articoli 1.922
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 3.844
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/202116 0 0 5 0 0 0 1 1 4 1 0 4
2021/20229 0 0 2 1 1 0 0 2 0 0 1 2
2022/202328 2 2 0 2 6 3 0 1 5 4 2 1
2023/202452 2 7 4 10 5 8 4 4 0 4 0 4
2024/2025148 109 6 33 0 0 0 0 0 0 0 0 0
Totale 253