Alessandro Genoni

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 38

Top Venues

Acta crystallographica Section B, Structural science, crystal engineering and materials

Journal of chemical theory and computation

Acta crystallographica. Section A, Foundations and advances

The journal of physical chemistry. A

CNRS & Université de Lorraine

University of Milan (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

CNRS & Université de Lorraine Oct 01 2011

France

CNRS Researcher :: Laboratory of Theoretical Physics and Chemistry (LPCT)

CNR / Giorgio Colombo Group Nov 01 2008 - Sep 30 2011

Italy

Post Doctoral Researcher :: Istituto di Chimica del Riconoscimento Molecolare (ICRM)

University of Florida / Kenneth M. Merz Jr. Group Nov 01 2006 - Oct 31 2008

United States

Post Doctoral Researcher :: Quantum Theory Project

Education History

University of Milan Nov 01 2003 - Dec 15 2006

Italy

PHD :: Department of Physical Chemistry and Electrochemistry

University of Milan Oct 01 1998 - Jul 22 2003

Italy

MSC

Publications

Anna Krawczuk, Alessandro Genoni
Current developments and trends in quantum crystallography. Acta crystallographica Section B, Structural science, crystal engineering and materials (2024)
Anna Krawczuk, Alessandro Genoni
Current developments and trends in quantum crystallography. Acta crystallographica Section B, Structural science, crystal engineering and materials (2024)
Anna Krawczuk, Alessandro Genoni
Current developments and trends in quantum crystallography. Acta crystallographica Section B, Structural science, crystal engineering and materials (2024)
Anna Krawczuk, Alessandro Genoni
Current developments and trends in quantum crystallography. Acta crystallographica Section B, Structural science, crystal engineering and materials 80 (Pt 4) (2024)
Alessandro Genoni
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniques. Acta crystallographica Section B, Structural science, crystal engineering and materials 79 (Pt 4) (2023)
Giovanni Macetti, Alessandro Genoni
Introduction of a weighting scheme for the X-ray restrained wavefunction approach: advantages and drawbacks. Acta crystallographica. Section A, Foundations and advances 79 (Pt 1) (2023)
Erna Katharina Wieduwilt, Roberto A Boto, Giovanni Macetti, Milagros Medina, Julia Contreras-García, Alessandro Genoni
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of chemical theory and computation (2023)
Emanuel Hupf, Florian Kleemiss, Tobias Borrmann, Rumpa Pal, Joanna M Krzeszczakowska, Magdalena Woinska, Dylan Jayatilaka, Alessandro Genoni, Simon Grabowsky
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials. The Journal of chemical physics 158 (12) (2023)
Erna Katharina Wieduwilt, Roberto A Boto, Giovanni Macetti, Milagros Medina, Julia Contreras-García, Alessandro Genoni
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses. Journal of chemical theory and computation 19 (3) (2023)
Hans Beat Bürgi, Alessandro Genoni
Remarks on X-ray constrained/restrained wavefunction fitting. Acta crystallographica Section B, Structural science, crystal engineering and materials 78 (Pt 3 Pt 1) (2022)
Giovanni Macetti, Alessandro Genoni
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems. Molecules (Basel, Switzerland) 28 (1) (2022)
Giovanni Macetti, Alessandro Genoni
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems. Molecules (Basel, Switzerland) 28 (1) (2022)
Alessandro Genoni
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λ. Acta crystallographica. Section A, Foundations and advances 78 (Pt 4) (2022)
Giovanni Macetti, Alessandro Genoni
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large Systems. Molecules (Basel, Switzerland) 28 (1) (2022)
Andrea Daolio, Erna Katharina Wieduwilt, Andrea Pizzi, Alessandro Genoni, Giuseppe Resnati, Giancarlo Terraneo
The N , N , N -trimethylammonium moiety as tetrel bond donor site: crystallographic and computational studies. Physical chemistry chemical physics : PCCP 24 (40) (2022)
Giovanni Macetti, Alessandro Genoni
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions. The journal of physical chemistry. A 125 (27) (2021)
Erna Katharina Wieduwilt, Jean-Charles Boisson, Giancarlo Terraneo, Eric Hénon, Alessandro Genoni
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach. Journal of chemical information and modeling 61 (2) (2021)
Giovanni Macetti, Alessandro Genoni
Initial Maximum Overlap Method for Large Systems by the Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Technique. Journal of chemical theory and computation 17 (7) (2021)
Lorraine A Malaspina, Alessandro Genoni, Simon Grabowsky
lamaGOET: an interface for quantum crystallography. Journal of applied crystallography 54 (Pt 3) (2021)
Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka, Michael J Turner, Kunihisa Sugimoto, Eiji Nishibori, Simon Grabowsky
The advanced treatment of hydrogen bonding in quantum crystallography. Journal of applied crystallography 54 (Pt 3) (2021)
Giovanni Macetti, Erna Katharina Wieduwilt, Alessandro Genoni
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals. The journal of physical chemistry. A 125 (13) (2021)
Alessandro Genoni
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallography. Acta crystallographica. Section A, Foundations and advances 76 (Pt 2) (2020)
Giovanni Macetti, Erna Katharina Wieduwilt, Xavier Assfeld, Alessandro Genoni
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods. Journal of chemical theory and computation 16 (6) (2020)
Florian Kleemiss, Oleg V Dolomanov, Michael Bodensteiner, Norbert Peyerimhoff, Laura Midgley, Luc J Bourhis, Alessandro Genoni, Lorraine A Malaspina, Dylan Jayatilaka, John L Spencer, Fraser White, Bernhard Grundkötter-Stock, Simon Steinhauer, Dieter Lentz, Horst Puschmann, Simon Grabowsky
Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12 (5) (2020)
Emil D Jensen, Lennard Krause, Kasper Tolborg, Giovanni Macetti, Alessandro Genoni, Jacob Overgaard
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density. Angewandte Chemie (International ed. in English) 59 (47) (2020)
Daniele Maiolo, Andrea Pizzi, Alessandro Gori, Lara Gazzera, Nicola Demitri, Alessandro Genoni, Fulvio Baggi, Fabio Moda, Giancarlo Terraneo, Francesca Baldelli Bombelli, Pierangelo Metrangolo, Giuseppe Resnati
Halogenation of the N-Terminus Tyrosine 10 Promotes Supramolecular Stabilization of the Amyloid-β Sequence 7-12. ChemistryOpen 9 (2) (2020)
Erna Katharina Wieduwilt, Giovanni Macetti, Alessandro Genoni
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions. The journal of physical chemistry letters 12 (1) (2020)
Giovanni Macetti, Alessandro Genoni
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster. Journal of chemical theory and computation 16 (12) (2020)
Malte Fugel, Maksym V Ponomarenko, Maxie F Hesse, Lorraine A Malaspina, Florian Kleemiss, Kunihisa Sugimoto, Alessandro Genoni, Gerd-Volker Röschenthaler, Simon Grabowsky
Complementary bonding analysis of the N-Si interaction in pentacoordinated silicon compounds using quantum crystallography. Dalton transactions (Cambridge, England : 2003) 48 (43) (2019)
Alessandro Genoni, Giovanni Macetti, Davide Franchini, Stefano Pieraccini, Maurizio Sironi
X-ray constrained spin-coupled technique: theoretical details and further assessment of the method. Acta crystallographica. Section A, Foundations and advances 75 (Pt 6) (2019)
Maja K Thomsen, Andreas Nyvang, James P S Walsh, Philip C Bunting, Jeffrey R Long, Frank Neese, Michael Atanasov, Alessandro Genoni, Jacob Overgaard
Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes. Inorganic chemistry 58 (5) (2019)
Lorraine A Malaspina, Erna K Wieduwilt, Justin Bergmann, Florian Kleemiss, Benjamin Meyer, Manuel F Ruiz-Lopez, Rumpa Pal, Emanuel Hupf, Jens Beckmann, Ross O Piltz, Alison J Edwards, Simon Grabowsky, Alessandro Genoni
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters 10 (22) (2019)
David Arias-Olivares, Erna K Wieduwilt, Julia Contreras-García, Alessandro Genoni
NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems. Journal of chemical theory and computation 15 (11) (2019)
Chen Gao, Alessandro Genoni, Song Gao, Shang-Da Jiang, Alessandro Soncini, Jacob Overgaard
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets. Nature chemistry 12 (2) (2019)
Giovanni Macetti, Alessandro Genoni
Quantum Mechanics/Extremely Localized Molecular Orbital Method: A Fully Quantum Mechanical Embedding Approach for Macromolecules. The journal of physical chemistry. A 123 (43) (2019)
Alessandro Genoni, Davide Franchini, Stefano Pieraccini, Maurizio Sironi
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (58) (2018)
Benjamin Meyer, Alessandro Genoni
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks. The journal of physical chemistry. A 122 (45) (2018)
Simon Grabowsky, Alessandro Genoni, Hans Beat Bürgi
Quantum crystallography. Chemical science 8 (6) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Alessandro Genoni