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Journal of Molecular Modeling
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September 16, 2018
Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?
Guillaume Hoffmann, Vincent Tognetti, Laurent Joubert
The Journal of Physical Chemistry. A
|
March 3, 2020
Electrophilicity Indices and Halogen Bonds: Some New Alternatives to the Molecular Electrostatic Potential
Guillaume Hoffmann, Vincent Tognetti, Laurent Joubert
Journal of Molecular Modeling
|
June 27, 2024
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
Guillaume Hoffmann, Henry Chermette, Christophe Morell
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 Molecular Modeling
|
November 19, 2025
Electrical analogy between a capacitor and the condensed linear response function
Rémi Grincourt, Olivier Aroule, Christophe Morell, 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.
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.
Journal of Computational Chemistry
|
April 5, 2024
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns
Guillaume Hoffmann, Frédéric Guégan, Vanessa Labet, et al.
ACS Chemical Biology
|
September 11, 2013
Structure-guided discovery of a novel aminoglycoside conjugate targeting HIV-1 RNA viral genome
Eric Ennifar, Muhammad Waqar Aslam, Perrine Strasser, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Molecular Modeling
|
September 16, 2018
Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?
Guillaume Hoffmann, Vincent Tognetti, Laurent Joubert
The Journal of Physical Chemistry. A
|
March 3, 2020
Electrophilicity Indices and Halogen Bonds: Some New Alternatives to the Molecular Electrostatic Potential
Guillaume Hoffmann, Vincent Tognetti, Laurent Joubert
Journal of Molecular Modeling
|
June 27, 2024
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
Guillaume Hoffmann, Henry Chermette, Christophe Morell
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 Molecular Modeling
|
November 19, 2025
Electrical analogy between a capacitor and the condensed linear response function
Rémi Grincourt, Olivier Aroule, Christophe Morell, 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.
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.
Journal of Computational Chemistry
|
April 5, 2024
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns
Guillaume Hoffmann, Frédéric Guégan, Vanessa Labet, et al.
ACS Chemical Biology
|
September 11, 2013
Structure-guided discovery of a novel aminoglycoside conjugate targeting HIV-1 RNA viral genome
Eric Ennifar, Muhammad Waqar Aslam, Perrine Strasser, et al.
Page
of 3