Henry Chermette

Université Claude Bernard Lyon 1 — France

Physics and Astronomy · Physical Sciences

40h-index7.5kcitations317works3.52yr avg
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Research Topics

Advanced Chemical Physics Studies(108), Spectroscopy and Quantum Chemical Studies(33), Free Radicals and Antioxidants(30), Magnetism in coordination complexes(28), Photochemistry and Electron Transfer Studies(23)

Publications317 total

Electrical analogy between a capacitor and the condensed linear response function
Journal of Molecular Modeling·2025
New sensors based on DNA base pairs: DFT, QTAIM, and NCI-RDG study
Journal of Molecular Modeling·2025· 1 cited
A scope of prebiotic neat reaction conditions and the mechanism of urea-assisted phosphorylations of alcohols
Nature Communications·2025Open Access
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
New Sensors Based on DNA Base Pairs: DFT, QTAIM and NCI-RDG Study
2025Open Access
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
Predicting and controlling the second-order NLO response in a new class of multi-decker sandwich clusters {µ-B2H2S2Pd(Cl)2}-(CoCp) n, (n = 2 to 5)
Journal of Photochemistry and Photobiology A Chemistry·2025· 2 citedOpen Access
Mechanism of Ag+-induced Folding of a Bacterial Peptide from Replica-Exchange Molecular Simulations
2025· 1 citedOpen Access
In Silico Study: <scp>DFT</scp>/ <scp>TDDFT</scp>/Admet and Molecular Docking, of Some Phytochemical Components of Plants Widely Used for the Treatment of COVID‐19
International Journal of Quantum Chemistry·2025· 1 cited
Mechanism of Ag+-induced Folding of a Bacterial Peptide from Replica-Exchange Molecular Simulations
2025Open 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
Prediction by DFT and Docking Calculations of a Series of Hypothetical 3d Transition Element Isostructural Complexes [M(hfac)<sub>2</sub>(TTF)<sub>2</sub>]: A Comparative Study
ChemistrySelect·2024· 4 citedOpen Access
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach
Journal of Molecular Modeling·2024· 6 cited
Excited States in Conceptual DFT
2024
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
Synthesis, Characterisation, Hirshfeld Surface Analysis, Magnetic Susceptibility, DFT Calculations, <i>pkCSM</i> Profile, and Biological Activities of Novel Mono‐, Di‐, and Multinuclear Cobalt (II) Complexes
European Journal of Inorganic Chemistry·2024· 22 citedOpen Access
Unveiling the mechanism and regioselectivity of the [3 + 2] cycloaddition reaction between N-methylphenylnitrone and 1-sulphonyl-1-trifluoromethylallene. A MEDT study
Molecular Physics·2024· 1 citedOpen Access
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Frequent Co-authors

Ilaria Ciofini(7), Carlo Adamo(5), Christophe Morell(5), M. Farizon(4), Paul W. Ayers(3), Dennis R. Salahub(3), Jacques Weber(3), Claire Bordes(3), H. Razafinjanahary(3), Denis Jacquemin(2), Alberto Vela(2), Tomasz A. Wesołowski(2), A. Lembarki(2), Laurent Joubert(2), Vincent Tognetti(2), C. Guillard(2), Alejandro Toro‐Labbé(2), François Rogemond(2), André Grand(2), F. Rogemond(2)