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Angewandte Chemie (International Ed. in English)|January 19, 2021
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron DensityEmil Damgaard-Møller, Lennard Krause, Kasper Tolborg, et al.Journal of Chemical Theory and Computation|January 19, 2023
Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index AnalysesErna K Wieduwilt, Roberto A Boto, Giovanni Macetti, 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 GenoniActa Crystallographica. Section A, Foundations and Advances|June 30, 2017
A first-prototype multi-determinant X-ray constrained wavefunction approach: the X-ray constrained extremely localized molecular orbital-valence bond methodAlessandro GenoniJournal of Chemical Theory and Computation|November 20, 2015
X-ray Constrained Extremely Localized Molecular Orbitals: Theory and Critical Assessment of the New TechniqueAlessandro GenoniInorganic Chemistry|January 16, 2019
Experimental X-ray Electron Density Study of Atomic Charges, Oxidation States, and Inverted Ligand Field in Cu(CF<sub>3</sub>)<sub>4</sub><sup></sup>Chen Gao, Giovanni Macetti, Jacob OvergaardActa Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 2, 2017
Insights on spin delocalization and spin polarization mechanisms in crystals of azido copper(II) dinuclear complexes through the electron spin density Source FunctionCarlo Gatti, Giovanni Macetti, Leonardo Lo PrestiPageof 7