Search research articles
Contact Us
Filters
Showing results (1-10 of 7) with videos related to
Page
of 1
Sort By:
Journal of Molecular Modeling
|
January 14, 2025
A comprehensive study of the influence of non-covalent interactions on electron density redistribution during the reaction between acetic acid and methylamine
Olivier Aroule, Emilie-Laure Zins
The Journal of Physical Chemistry. A
|
September 3, 2025
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle
Olivier Aroule, Christophe Morell, Henry Chermette, et al.
Journal of Chemical Theory and Computation
|
April 1, 2026
Extending Conceptual DFT to Fourth Order: From Quartic Curvature to Third-Order Fukui Response
Guillaume Hoffmann, Olivier Aroule, Rémi Grincourt, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 12, 2024
Probing microhydration-induced effects on carbonyl compounds
Olivier Aroule, Mahmoud Jarraya, Emilie-Laure Zins, et al.
Journal of Molecular Modeling
|
November 19, 2025
Electrical analogy between a capacitor and the condensed linear response function
Rémi Grincourt, Olivier Aroule, Christophe Morell, et al.
RSC Advances
|
April 24, 2026
Structural, linear, and nonlinear optical properties of <i>ortho</i>-carboranyl luminophores: insights from DFT and TD-DFT studies
Djamila Samsar, Douniazed Hannachi, Meriem Zaidi, et al.
The Journal of Physical Chemistry. A
|
January 27, 2026
Nickel and Copper in C-H Activation and Carbenoid Chemistry: A Descriptor-Based Comparative Analysis of Transition Metals
Sasha Gazzari-Jara, Olivier Aroule, Guillaume Hoffmann, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Molecular Modeling
|
January 14, 2025
A comprehensive study of the influence of non-covalent interactions on electron density redistribution during the reaction between acetic acid and methylamine
Olivier Aroule, Emilie-Laure Zins
The Journal of Physical Chemistry. A
|
September 3, 2025
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle
Olivier Aroule, Christophe Morell, Henry Chermette, et al.
Journal of Chemical Theory and Computation
|
April 1, 2026
Extending Conceptual DFT to Fourth Order: From Quartic Curvature to Third-Order Fukui Response
Guillaume Hoffmann, Olivier Aroule, Rémi Grincourt, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 12, 2024
Probing microhydration-induced effects on carbonyl compounds
Olivier Aroule, Mahmoud Jarraya, Emilie-Laure Zins, et al.
Journal of Molecular Modeling
|
November 19, 2025
Electrical analogy between a capacitor and the condensed linear response function
Rémi Grincourt, Olivier Aroule, Christophe Morell, et al.
RSC Advances
|
April 24, 2026
Structural, linear, and nonlinear optical properties of <i>ortho</i>-carboranyl luminophores: insights from DFT and TD-DFT studies
Djamila Samsar, Douniazed Hannachi, Meriem Zaidi, et al.
The Journal of Physical Chemistry. A
|
January 27, 2026
Nickel and Copper in C-H Activation and Carbenoid Chemistry: A Descriptor-Based Comparative Analysis of Transition Metals
Sasha Gazzari-Jara, Olivier Aroule, Guillaume Hoffmann, et al.
Page
of 1