Christophe Morell

Université Claude Bernard Lyon 1 — France

Physics and Astronomy · Physical Sciences

29h-index4.6kcitations147works1.82yr avg
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Research Topics

Advanced Chemical Physics Studies(34), DNA and Nucleic Acid Chemistry(32), Organic Chemistry Cycloaddition Reactions(25), Free Radicals and Antioxidants(23), Chemical Reaction Mechanisms(21)

Publications147 total

Electrical analogy between a capacitor and the condensed linear response function
Journal of Molecular Modeling·2025
Chemical reactivity from linear response eigenfunctions and eigenvalues
The Journal of Chemical Physics·2025· 1 citedOpen Access
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle
The Journal of Physical Chemistry A·2025· 1 cited
Investigation of free radical scavenging activities of some Isatin Schiff bases (O H versus N H). A DFT Study
Chemical Physics Impact·2025· 2 citedOpen Access
Electronic and optical properties of copper nanostructures for advanced applications
New Journal of Chemistry·2025· 2 citedOpen Access
Axial/Peripheral Halogen‐Substituted Phenoxy Boron Subphthalocyanines for Application as Electron Acceptors Materials for Organic Solar Cells and Hole Transport Materials for Perovskite Solar Cells: A DFT Approach
ChemistrySelect·2024· 2 cited
Chemical reactivity inside carbon cages: theoretical insights from a fullerene confinement
Theoretical Chemistry Accounts·2024· 2 cited
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
Journal of Molecular Modeling·2024· 6 cited
Finishing (off) the Klopman-Salem model
SPIRE - Sciences Po Institutional REpository·2024Open Access
Excited States in Conceptual DFT
2024
Determining the Factors Accounting for Reaction Selectivity: A Relative Energy Gradient – Interacting Quantum Atoms and Natural Bonding Orbitals Study
ChemPhysChem·2024· 2 citedOpen Access
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
2024· 1 citedOpen Access
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns
Journal of Computational Chemistry·2024· 5 citedOpen Access
Predicting the activity of methoxyphenol derivatives antioxidants: <scp>II</scp>—Importance of the nature of the solvent on the mechanism, a <scp>DFT</scp> study
Journal of Computational Chemistry·2023· 9 citedOpen Access
Zwitterionic bifunctional stable zinc complexes as single catalysts for the valorization of CO2 into cyclic carbonates
Molecular Catalysis·2023· 6 cited
DFT study of the condensation products of 2-chloro-3-formylquinolines with o-aminophenol, o-aminothiophenol and o-phenylenediamine
Theoretical Chemistry Accounts·2023· 2 citedOpen Access
Finishing (off) the Klopman–Salem model: the importance of density polarization energy
Theoretical Chemistry Accounts·2023· 4 cited
Structure-reactivity link of imidazole derivatives as catalysts for cycloaddition of CO2 to styrene oxide
SPIRE - Sciences Po Institutional REpository·2023
Understanding the mechanism and regio‐ and stereo selectivity of [3 + 2] cycloaddition reactions between substituted azomethine ylide and 3,3,3‐<scp>trifluoro</scp>‐1‐nitroprop‐1‐ene, within the molecular electron density theory
Journal of Computational Chemistry·2023· 2 citedOpen Access
Insight into the Varying Reactivity of Different Catalysts for CO2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study
International Journal of Molecular Sciences·2023· 8 citedOpen Access
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Frequent Co-authors

André Grand(18), Henry Chermette(14), Vanessa Labet(12), Paul W. Ayers(11), Élise Dumont(10), Emmanuelle Bignon(10), Alejandro Toro‐Labbé(9), Vincent Tognetti(7), Antonio Monari(7), Jean Cadet(7), Frédéric Guégan(6), Laurent Joubert(6), Frank De Proft(5), Leif A. Eriksson(5), Hugo Gattuso(5), Paul Geerlings(4), Dominique Luneau(4), Shubin Liu(3), Carlos Cárdenas(3), Jean‐Luc Ravanat(3)