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Acta Crystallographica. Section A, Foundations and Advances
|
November 7, 2019
X-ray constrained spin-coupled technique: theoretical details and further assessment of the method
Alessandro Genoni, Giovanni Macetti, Davide Franchini, et al.
Journal of Chemical Theory and Computation
|
September 26, 2019
NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems
David Arias-Olivares, Erna K Wieduwilt, Julia Contreras-García, et al.
Iucrj
|
March 3, 2017
Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?
Alessandro Genoni, Leonardo H R Dos Santos, Benjamin Meyer, et al.
Journal of Chemical Theory and Computation
|
June 2, 2016
Correction to Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability
Benjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.
The Journal of Physical Chemistry. A
|
June 2, 2016
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach
Benjamin Meyer, Alessandro Genoni, Ariane Boudier, et al.
Nature Chemistry
|
December 18, 2019
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets
Chen Gao, Alessandro Genoni, Song Gao, et al.
Journal of Chemical Information and Modeling
|
January 14, 2021
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach
Erna K Wieduwilt, Jean-Charles Boisson, Giancarlo Terraneo, et al.
Journal of Chemical Theory and Computation
|
January 23, 2016
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability
Benjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.
Chemistryopen
|
April 10, 2020
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective
Davide Franchini, Alessandra Forni, Alessandro Genoni, et al.
Angewandte Chemie (International Ed. in English)
|
January 19, 2021
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density
Emil Damgaard-Møller, Lennard Krause, Kasper Tolborg, et al.
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Search research articles
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Showing results (31-40 of 55) with videos related to
Sort By:
Page
of 6
Acta Crystallographica. Section A, Foundations and Advances
|
November 7, 2019
X-ray constrained spin-coupled technique: theoretical details and further assessment of the method
Alessandro Genoni, Giovanni Macetti, Davide Franchini, et al.
Journal of Chemical Theory and Computation
|
September 26, 2019
NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems
David Arias-Olivares, Erna K Wieduwilt, Julia Contreras-García, et al.
Iucrj
|
March 3, 2017
Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?
Alessandro Genoni, Leonardo H R Dos Santos, Benjamin Meyer, et al.
Journal of Chemical Theory and Computation
|
June 2, 2016
Correction to Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability
Benjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.
The Journal of Physical Chemistry. A
|
June 2, 2016
Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach
Benjamin Meyer, Alessandro Genoni, Ariane Boudier, et al.
Nature Chemistry
|
December 18, 2019
Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets
Chen Gao, Alessandro Genoni, Song Gao, et al.
Journal of Chemical Information and Modeling
|
January 14, 2021
A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach
Erna K Wieduwilt, Jean-Charles Boisson, Giancarlo Terraneo, et al.
Journal of Chemical Theory and Computation
|
January 23, 2016
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability
Benjamin Meyer, Benoît Guillot, Manuel F Ruiz-Lopez, et al.
Chemistryopen
|
April 10, 2020
The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective
Davide Franchini, Alessandra Forni, Alessandro Genoni, et al.
Angewandte Chemie (International Ed. in English)
|
January 19, 2021
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density
Emil Damgaard-Møller, Lennard Krause, Kasper Tolborg, et al.
Page
of 6