Christophe Morell

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 8

Top Topics

Binary Patterns

Chemical Reactions

Top Venues

J. Comput. Chem.

Publications

Roumaissa Khelifi, Nadjia Latelli, Zoulikha Charifi, Christophe Morell, Henry Chermette
Predicting the activity of methoxyphenol derivatives antioxidants: II - Importance of the nature of the solvent on the mechanism, a DFT study. J. Comput. Chem. 45 (12) (2024)
Guillaume Hoffmann, Frédéric Guégan, Vanessa Labet, Laurent Joubert, Henry Chermette, Christophe Morell, Vincent Tognetti
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. J. Comput. Chem. 45 (20) (2024)
Chafia Sobhi, Lynda Merzoud, Souad Bouasla, Abdelmalek Khorief Nacereddine, Christophe Morell, Henry Chermette
Understanding the mechanism and regio- and stereo selectivity of [3 + 2] cycloaddition reactions between substituted azomethine ylide and 3, 3, 3-trifluoro-1-nitroprop-1-ene, within the molecular electron density theory. J. Comput. Chem. 44 (12) (2023)
Abdelmalek Khorief Nacereddine, Lynda Merzoud, Christophe Morell, Henry Chermette
A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa-Diels-Alder cycloaddition of substituted diene with benzaldehyde. J. Comput. Chem. 42 (18) (2021)
Lynda Merzoud, Frédéric Guégan, Henry Chermette, Christophe Morell
Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints. J. Comput. Chem. 42 (19) (2021)
Jorge I. Martínez-Araya, Christophe Morell
The density polarization reveals directions of electron displacements due to the substituent effect: Analysis performed on a metal-organic Mo-Oxo catalyst. J. Comput. Chem. 42 (16) (2021)
Walid Lamine, Salima Boughdiri, Lorraine Christ, Christophe Morell, Henry Chermette
Coordination chemistry of Zn2+ with Sal(ph)en ligands: Tetrahedral coordination or penta-coordination? a DFT analysis. J. Comput. Chem. 40 (5) (2019)
Vincent Tognetti, Christophe Morell, Laurent Joubert
Quantifying electro/nucleophilicity by partitioning the dual descriptor. J. Comput. Chem. 36 (9) (2015)