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Alessandro Genoni

Polytechnic University of Milan

29H-index
170Paper Count
2.5KCitation Count
Published Papers 28
Publication Date
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Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange-correlation functionals based on X-ray data
errJOURNAL OF APPLIED CRYSTALLOGRAPHY
IF2.8
err2025-08-01
err0
errOAAI
errGenoni, Alessandro; Sironi, Maurizio
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Critical assessment of the x-ray restrained wave function approach: Advantages, drawbacks, and perspectives for density functional theory and periodic ab initio calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-20
err2
PREAI
errGenoni, Alessandro; Martin Pendas, Angel
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Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality
errCHEMICAL PHYSICS REVIEWS
IF6.2
err2024-06-18
err2
errOAAI
errGenoni, Alessandro
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The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-22
err9
errOAAI
errHupf, Emanuel; Kleemiss, Florian; Borrmann, Tobias; Pal, Rumpa; Krzeszczakowska, Joanna M. M.; Woinska, Magdalena; Jayatilaka, Dylan; Genoni, Alessandro; Grabowsky, Simon
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Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-19
err8
errOAAI
errWieduwil, Erna K.; Boto, Roberto A.; Macetti, Giovanni; Laplaza, Ruben; Contreras-Garcia, Julia; Genoni, Alessandro
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Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems
errMOLECULES
IF4.6
err2022-12-24
err1
errOAAI
errMacetti, Giovanni; Genoni, Alessandro
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Initial Maximum Overlap Method for Large Systems by the Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Technique
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-01
err15
errOAAI
errMacetti, Giovanni; Genoni, Alessandro
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A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-01-14
err16
errOAAI
errWieduwilt, Erna K.; Boisson, Jean-Charles; Terraneo, Giancarlo; Henon, Eric; Genoni, Alessandro
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Accurate crystal structures and chemical properties from NoSpherA2
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err206
errOAAI
errKleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkoetter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
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Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-26
err26
errOAAI
errMacetti, Giovanni; Genoni, Alessandro
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Analysis of crystal field effects and interactions using X-ray restrained ELMOs
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2020-06-01
err22
errOAAI
errErnst, Michelle; Genoni, Alessandro; Macchi, Piero
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Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2020-06-01
err24
errOAAI
errWieduwilt, Erna K.; Macetti, Giovanni; Malaspina, Lorraine A.; Jayatilaka, Dylan; Grabowsky, Simon; Genoni, Alessandro
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Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-05-05
err21
errOAAI
errMacetti, Giovanni; Wieduwilt, Erna K.; Assfeld, Xavier; Genoni, Alessandro
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Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets
errNATURE CHEMISTRY
IF20.2
err2019-12-16
err58
errOAAI
errGao, Chen; Genoni, Alessandro; Gao, Song; Jiang, Shangda; Soncini, Alessandro; Overgaard, Jacob
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NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-25
err22
errOAAI
errArias-Olivares, David; Wieduwilt, Erna K.; Contreras-Garcia, Julia; Genoni, Alessandro
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Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes
errINORGANIC CHEMISTRY
IF4.7
err2019-02-14
err30
errOAAI
errThomsen, Maja K.; Nyvang, Andreas; Walsh, James P. S.; Bunting, Philip C.; Long, Jeffrey R.; Neese, Frank; Atanasov, Michael; Genoni, Alessandro; Overgaard, Jacob
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Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography
errDALTON TRANSACTIONS
IF3.3
err2019-01-01
err11
errOAAI
errFugel, Malte; Ponomarenko, Maksym, V; Hesse, Maxie F.; Malaspina, Lorraine A.; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Roeschenthaler, Gerd-Volker; Grabowsky, Simon
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X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2018-09-26
err27
errOAAI
errGenoni, Alessandro; Franchini, Davide; Pieraccini, Stefano; Sironi, Maurizio
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In vivo and in silico evaluation of a new nitric oxide donor, S,S′-dinitrosobucillamine
errNITRIC OXIDE-BIOLOGY AND CHEMISTRY
IF3.2
err2017-12-01
err3
errOAAI
errBouressam, Marie-Lynda; Meyer, Benjamin; Boudier, Ariane; Clarot, Igor; Leroy, Pierre; Genoni, Alessandro; Ruiz-Lopez, Manuel; Giummelly, Philippe; Liminana, Patrick; Salgues, Valerie; Kouach, Mostafa; Perrin-Sarrado, Caroline; Lartaud, Isabelle; Dupuis, Francois
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Quantum crystallography
errCHEMICAL SCIENCE
IF7.4
err2017-01-01
err125
errOAAI
errGrabowsky, Simon; Genoni, Alessandro; Burgi, Hans-Beat
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Research Directions

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Co-authors
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