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The Journal of Physical Chemistry. A
|
March 12, 2015
Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates
Leonardo H R Dos Santos, Anna Krawczuk, Piero Macchi
The Journal of Physical Chemistry. A
|
November 20, 2020
Crystal Field Effects on Atomic and Functional-Group Distributed Polarizabilities of Molecular Materials
Raphael F Ligorio, Anna Krawczuk, Leonardo H R Dos Santos
The Journal of Physical Chemistry. A
|
May 10, 2021
Accurate Atom-Dipole Interaction Model for Prediction of Electro-optical Properties: From van der Waals Aggregates to Covalently Bonded Clusters
Raphael F Ligorio, Anna Krawczuk, Leonardo H R Dos Santos
Journal of Computational Chemistry
|
June 27, 2025
Iterative Implementation of the Dipole Interaction Model for Atomic Polarizabilities
Raphael F Ligorio, Leonardo H R Dos Santos, Anna Krawczuk
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
July 4, 2023
Experimental charge density and topological analysis of tetraaquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement
Camila B Pinto, Leonardo H R Dos Santos, Bernardo L Rodrigues
Acta Crystallographica. Section C, Structural Chemistry
|
June 6, 2019
Understanding metal-ligand interactions in coordination polymers using Hirshfeld surface analysis
Camila B Pinto, Leonardo H R Dos Santos, Bernardo L Rodrigues
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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 28, 2020
Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides
Angelika Jabłuszewska, Anna Krawczuk, Leonardo H R Dos Santos, et al.
Acta Crystallographica. Section C, Structural Chemistry
|
August 8, 2024
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds
Camila B Pinto, Leonardo H R Dos Santos, Bernardo L Rodrigues
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 19, 2021
Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides
Angelika Jabłuszewska, Anna Krawczuk, Leonardo H R Dos Santos, et al.
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of 2
Search research articles
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Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
March 12, 2015
Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates
Leonardo H R Dos Santos, Anna Krawczuk, Piero Macchi
The Journal of Physical Chemistry. A
|
November 20, 2020
Crystal Field Effects on Atomic and Functional-Group Distributed Polarizabilities of Molecular Materials
Raphael F Ligorio, Anna Krawczuk, Leonardo H R Dos Santos
The Journal of Physical Chemistry. A
|
May 10, 2021
Accurate Atom-Dipole Interaction Model for Prediction of Electro-optical Properties: From van der Waals Aggregates to Covalently Bonded Clusters
Raphael F Ligorio, Anna Krawczuk, Leonardo H R Dos Santos
Journal of Computational Chemistry
|
June 27, 2025
Iterative Implementation of the Dipole Interaction Model for Atomic Polarizabilities
Raphael F Ligorio, Leonardo H R Dos Santos, Anna Krawczuk
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
July 4, 2023
Experimental charge density and topological analysis of tetraaquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement
Camila B Pinto, Leonardo H R Dos Santos, Bernardo L Rodrigues
Acta Crystallographica. Section C, Structural Chemistry
|
June 6, 2019
Understanding metal-ligand interactions in coordination polymers using Hirshfeld surface analysis
Camila B Pinto, Leonardo H R Dos Santos, Bernardo L Rodrigues
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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 28, 2020
Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides
Angelika Jabłuszewska, Anna Krawczuk, Leonardo H R Dos Santos, et al.
Acta Crystallographica. Section C, Structural Chemistry
|
August 8, 2024
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds
Camila B Pinto, Leonardo H R Dos Santos, Bernardo L Rodrigues
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 19, 2021
Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides
Angelika Jabłuszewska, Anna Krawczuk, Leonardo H R Dos Santos, et al.
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of 2