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Journal of Applied Crystallography|August 6, 2025
Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange-correlation functionals based on X-ray dataAlessandro Genoni, Maurizio SironiJournal of Computational Chemistry|April 7, 2005
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitalsAlessandro Genoni, Arianna Fornili, Maurizio SironiThe Journal of Chemical Physics|August 14, 2008
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunctionAlessandro Genoni, Kenneth M Merz, Maurizio SironiChemistry (Weinheim an Der Bergstrasse, Germany)|August 11, 2018
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction DataAlessandro Genoni, Davide Franchini, Stefano Pieraccini, et al.Acta Crystallographica. Section A, Foundations and Advances|November 7, 2019
X-ray constrained spin-coupled technique: theoretical details and further assessment of the methodAlessandro Genoni, Giovanni Macetti, Davide Franchini, et al.Chemistryopen|April 10, 2020
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond PerspectiveDavide Franchini, Alessandra Forni, Alessandro Genoni, et al.Acta Crystallographica. Section A, Foundations and Advances|March 4, 2020
On the use of the Obara-Saika recurrence relations for the calculation of structure factors in quantum crystallographyAlessandro GenoniActa Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 10, 2023
Elucidating the nature of chemical bonds in a coordination compound through quantum crystallographic techniquesAlessandro GenoniThe Journal of Physical Chemistry Letters|August 19, 2015
Molecular Orbitals Strictly Localized on Small Molecular Fragments from X-ray Diffraction DataAlessandro GenoniActa Crystallographica. Section A, Foundations and Advances|July 5, 2022
On the termination of the X-ray constrained wavefunction procedure: reformulation of the method for an unequivocal determination of λAlessandro GenoniPageof 10