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Alessandro Genoni

Showing results (1-10 of 55) with videos related to

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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 Genoni
Acta 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 Genoni
The Journal of Physical Chemistry Letters|August 19, 2015
Molecular Orbitals Strictly Localized on Small Molecular Fragments from X-ray Diffraction DataAlessandro Genoni
Acta 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 Genoni
Acta 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 Genoni
Journal of Chemical Theory and Computation|November 20, 2015
X-ray Constrained Extremely Localized Molecular Orbitals: Theory and Critical Assessment of the New TechniqueAlessandro Genoni
Molecules (Basel, Switzerland)|January 8, 2023
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large SystemsGiovanni Macetti, Alessandro Genoni
The Journal of Physical Chemistry. A|June 30, 2021
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme ReactionsGiovanni Macetti, Alessandro Genoni
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 Sironi
Journal of Chemical Theory and Computation|November 26, 2020
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled ClusterGiovanni Macetti, Alessandro Genoni
Pageof 6

Showing results (1-10 of 55) with videos related to

Sort By:
Pageof 6
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 Genoni
Acta 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 Genoni
The Journal of Physical Chemistry Letters|August 19, 2015
Molecular Orbitals Strictly Localized on Small Molecular Fragments from X-ray Diffraction DataAlessandro Genoni
Acta 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 Genoni
Acta 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 Genoni
Journal of Chemical Theory and Computation|November 20, 2015
X-ray Constrained Extremely Localized Molecular Orbitals: Theory and Critical Assessment of the New TechniqueAlessandro Genoni
Molecules (Basel, Switzerland)|January 8, 2023
Initial Maximum Overlap Method Embedded with Extremely Localized Molecular Orbitals for Core-Ionized States of Large SystemsGiovanni Macetti, Alessandro Genoni
The Journal of Physical Chemistry. A|June 30, 2021
Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme ReactionsGiovanni Macetti, Alessandro Genoni
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 Sironi
Journal of Chemical Theory and Computation|November 26, 2020
Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled ClusterGiovanni Macetti, Alessandro Genoni
Pageof 6