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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
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
The Journal of Physical Chemistry. B
|
July 8, 2024
Unveiling GruPol: Predicting Electric and Electrostatic Properties of Macromolecules via the Building Block Approach
Raphael F Ligorio, Paul Grosskopf, Leonardo H R Dos Santos, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
February 25, 2025
Electric charge and salting in/out effects on glucagon's dipole moments and polarizabilities using the GruPol database
Raphael F Ligorio, Rasmus H M Gehle, Leonardo H R Dos Santos, et al.
Journal of Molecular Modeling
|
January 20, 2023
Distributed functional-group polarizabilities in polypeptides and peptide clusters toward accurate prediction of electro-optical properties of biomacromolecules
José L Rodrigues, Raphael F Ligorio, Anna Krawczuk, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 22, 2025
Polarization and Dipole Moment Effects on Sigma-Hole Potential in Tin(IV)-Porphyrins
Rafia Siddiqui, Raphael F Ligorio, Hatem M Titi, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2022
Benchmark of a functional-group database for distributed polarizability and dipole moment in biomolecules
Raphael F Ligorio, Jose L Rodrigues, Anatoly Zuev, et al.
Angewandte Chemie (International Ed. in English)
|
July 4, 2025
Intriguing Reactivity of a 1,2-Dihydrodialumane Towards Organic Azides - From a Terminal Diazido-Dialumane to Pendulum-Clock-Like Azide Bridging
Xiaobai Wang, Franziska Traeger, Raphael F Ligorio, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 9, 2024
Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and unusual transient dialumene
Xiaobai Wang, Raphael F Ligorio, Franziska Rüttger, et al.
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Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
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
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
The Journal of Physical Chemistry. B
|
July 8, 2024
Unveiling GruPol: Predicting Electric and Electrostatic Properties of Macromolecules via the Building Block Approach
Raphael F Ligorio, Paul Grosskopf, Leonardo H R Dos Santos, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
February 25, 2025
Electric charge and salting in/out effects on glucagon's dipole moments and polarizabilities using the GruPol database
Raphael F Ligorio, Rasmus H M Gehle, Leonardo H R Dos Santos, et al.
Journal of Molecular Modeling
|
January 20, 2023
Distributed functional-group polarizabilities in polypeptides and peptide clusters toward accurate prediction of electro-optical properties of biomacromolecules
José L Rodrigues, Raphael F Ligorio, Anna Krawczuk, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 22, 2025
Polarization and Dipole Moment Effects on Sigma-Hole Potential in Tin(IV)-Porphyrins
Rafia Siddiqui, Raphael F Ligorio, Hatem M Titi, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2022
Benchmark of a functional-group database for distributed polarizability and dipole moment in biomolecules
Raphael F Ligorio, Jose L Rodrigues, Anatoly Zuev, et al.
Angewandte Chemie (International Ed. in English)
|
July 4, 2025
Intriguing Reactivity of a 1,2-Dihydrodialumane Towards Organic Azides - From a Terminal Diazido-Dialumane to Pendulum-Clock-Like Azide Bridging
Xiaobai Wang, Franziska Traeger, Raphael F Ligorio, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 9, 2024
Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and unusual transient dialumene
Xiaobai Wang, Raphael F Ligorio, Franziska Rüttger, et al.
Page
of 1