Christophe Morell
Université Claude Bernard Lyon 1
H-index: 29
Europe-France
Top articles of Christophe Morell
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Predicting the activity of methoxyphenol derivatives antioxidants: II—Importance of the nature of the solvent on the mechanism, a DFT study | Journal of Computational Chemistry | Roumaissa Khelifi Nadjia Latelli Zoulikha Charifi Christophe Morell Henry Chermette | 2024/5/5 |
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach | Guillaume Hoffmann Henry Chermette Christophe Morell | 2024/5/2 | |
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns | Journal of Computational Chemistry | Guillaume Hoffmann Frédéric Guégan Vanessa Labet Laurent Joubert Henry Chermette | 2024/4/5 |
Zwitterionic bifunctional stable zinc complexes as single catalysts for the valorization of CO2 into cyclic carbonates | Molecular Catalysis | Miguel Alonso de la Peña Lynda Merzoud Dominik Bussé-Côté Alain Tuel Christophe Morell | 2024/1/15 |
Insight into the Varying Reactivity of Different Catalysts for CO2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study | International Journal of Molecular Sciences | Angelo Pio Sebaaly Hugo Dias Lorraine Christ Lynda Merzoud Henry Chermette | 2023/1/20 |
DFT study of the condensation products of 2-chloro-3-formylquinolines with o-aminophenol, o-aminothiophenol and o-phenylenediamine | Theoretical Chemistry Accounts | Nabila Benabila Hafida Merouani Nadjia Latelli Abd Alghani May Christophe Morell | 2023/11 |
The effect of resonance-assisted hydrogen bond on the second-order nonlinear optical properties of pyridine hydrazone photoswitches: a quantum chemistry investigation | New Journal of Chemistry | Douniazed Hannachi Noureddine Khelfaoui Meriem Zaidi Diha Yahiaoui Salima Lakehal | 2023 |
Finishing (off) the Klopman–Salem model: the importance of density polarization energy | Theoretical Chemistry Accounts | Frédéric Guégan Yanis Abid-Charef Guillaume Hoffmann Henry Chermette Christophe Morell | 2023/10 |
Degradation by hydrolysis of three triphenylmethane dyes: DFT and TD-DFT study | Theoretical Chemistry Accounts | Djamel Taharchaouche Nadjia Latelli Hafida Merouani Boussebbat Wahiba Naima Mechehoud | 2023/1 |
Structure-reactivity link of imidazole derivatives as catalysts for cycloaddition of CO2 to styrene oxide | H Dias A Pio Sebaaly L Christ A Tuel H Chermette | 2023/6/26 | |
Journée de printemps SCF Rhône-Alpes | H Dias L Christ A Tuel H Chermette C Morell | 2023/6/1 | |
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 … | Journal of Computational Chemistry | Chafia Sobhi Lynda Merzoud Souad Bouasla Abdelmalek Khorief Nacereddine Christophe Morell | 2023/5/5 |
Reactivity and a Charge-Transfer Model Analysis in Aminopolycarboxylic–Metal Complexes | Inorganic Chemistry | Nawel Redjem Salima Lakehal Aicha Lakehal Christophe Morell Lynda Merzoud | 2022/3/7 |
Formation mechanism of Inter-Crosslink in DNA by nitrogen oxides pollutants through a diazonium intermediate | International Journal of Molecular Sciences | Noemi Hernandez-Haro Christian Solis-Calero Rodrigo Casasnovas Christophe Morell Andre Grand | 2022/9/13 |
Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles | Frontiers in Chemistry | Ramón Alain Miranda-Quintana Farnaz Heidar-Zadeh Stijn Fias Allison EA Chapman Shubin Liu | 2022 |
Conceptual DFT and Excited States | Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory | Frédéric Guégan Lynda Merzoud Henry Chermette Christophe Morell | 2022/6/7 |
A Perspective on the so-called Dual Descriptor | Henry Chermette Lynda Merzoud Frédéric Guégan Christophe Morell | 2021 | |
Understanding the intermolecular Diels–Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory … | Journal of computational chemistry | Lynda Merzoud Frédéric Guégan Henry Chermette Christophe Morell | 2021/7/15 |
Predicted structure and selectivity of 3d transition metal complexes with glutamic N, N-bis (carboxymethyl) acid | New Journal of Chemistry | Fatima Mechachti Salima Lakehal Aicha Lakehal Christophe Morell Lynda Merzoud | 2021 |
A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa‐Diels–Alder cycloaddition of substituted diene with benzaldehyde | Journal of computational chemistry | Abdelmalek Khorief Nacereddine Lynda Merzoud Christophe Morell Henry Chermette | 2021/7/5 |
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