Christophe Morell

Orcid: 0000-0002-6321-8723

According to our database1, Christophe Morell authored at least 8 papers between 2015 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of six.

Timeline

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Bibliography

2024
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns.
J. Comput. Chem., July, 2024

Predicting the activity of methoxyphenol derivatives antioxidants: II - Importance of the nature of the solvent on the mechanism, a DFT study.
J. Comput. Chem., May, 2024

2023
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., 2023

2021
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., 2021

Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints.
J. Comput. Chem., 2021

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., 2021

2019
Coordination chemistry of Zn2+ with Sal(ph)en ligands: Tetrahedral coordination or penta-coordination? a DFT analysis.
J. Comput. Chem., 2019

2015
Quantifying electro/nucleophilicity by partitioning the dual descriptor.
J. Comput. Chem., 2015


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