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Alessandro Genoni

Showing results (21-30 of 55) with videos related to

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The Journal of Physical Chemistry Letters|December 28, 2020
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom PositionsErna K Wieduwilt, Giovanni Macetti, Alessandro Genoni
Journal of Applied Crystallography|June 30, 2021
<i>lamaGOET</i>: an interface for quantum crystallographyLorraine A Malaspina, Alessandro Genoni, Simon Grabowsky
Chemical Science|September 8, 2017
Quantum crystallographySimon Grabowsky, Alessandro Genoni, Hans-Beat Bürgi
The 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 Sironi
The Journal of Physical Chemistry. A|March 5, 2021
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular OrbitalsGiovanni Macetti, Erna K Wieduwilt, Alessandro Genoni
Chemistry (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.
Biochemistry|April 27, 2010
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitorsAlessandro Genoni, Giulia Morra, Kenneth M Merz, et al.
Journal of Chemical Theory and Computation|May 6, 2020
Localized Molecular Orbital-Based Embedding Scheme for Correlated MethodsGiovanni Macetti, Erna K Wieduwilt, Xavier Assfeld, et al.
Journal of Chemical Theory and Computation|January 23, 2016
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals TransferabilityBenjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 2, 2017
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modellingNicola Casati, Alessandro Genoni, Benjamin Meyer, et al.
Pageof 6

Showing results (21-30 of 55) with videos related to

Sort By:
Pageof 6
The Journal of Physical Chemistry Letters|December 28, 2020
Climbing Jacob's Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom PositionsErna K Wieduwilt, Giovanni Macetti, Alessandro Genoni
Journal of Applied Crystallography|June 30, 2021
<i>lamaGOET</i>: an interface for quantum crystallographyLorraine A Malaspina, Alessandro Genoni, Simon Grabowsky
Chemical Science|September 8, 2017
Quantum crystallographySimon Grabowsky, Alessandro Genoni, Hans-Beat Bürgi
The 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 Sironi
The Journal of Physical Chemistry. A|March 5, 2021
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular OrbitalsGiovanni Macetti, Erna K Wieduwilt, Alessandro Genoni
Chemistry (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.
Biochemistry|April 27, 2010
Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitorsAlessandro Genoni, Giulia Morra, Kenneth M Merz, et al.
Journal of Chemical Theory and Computation|May 6, 2020
Localized Molecular Orbital-Based Embedding Scheme for Correlated MethodsGiovanni Macetti, Erna K Wieduwilt, Xavier Assfeld, et al.
Journal of Chemical Theory and Computation|January 23, 2016
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals TransferabilityBenjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 2, 2017
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modellingNicola Casati, Alessandro Genoni, Benjamin Meyer, et al.
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