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Chemistry

D-Index
40
Citations
8212
World Ranking
17842
National Ranking
792

Overview

Henry Chermette is affiliated with Claude Bernard University Lyon 1 in France, focusing primarily on Chemistry and Materials Science. Their research spans a number of specialized subfields, including Organic Chemistry, Materials Chemistry, Electronic, Optical and Magnetic Materials, Atomic and Molecular Physics, and Oncology.

The scientist has contributed extensively to topics such as Free Radicals and Antioxidants, Advanced Chemical Physics Studies, Organic Chemistry Cycloaddition Reactions, Metal Complexes Synthesis and Properties, Nonlinear Optical Materials Research, Computational Drug Discovery Methods, and Chemical Reaction Mechanisms.

Frequent publication venues for Henry Chermette include the New Journal of Chemistry, Journal of Computational Chemistry, ChemistrySelect, Journal of Molecular Modeling, and Theoretical Chemistry Accounts.

Representative recent papers authored by Henry Chermette include:

  • "DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science," 2022, Physical Chemistry Chemical Physics
  • "Robust pyrrole-Schiff base Zinc complexes as novel catalysts for the selective cycloaddition of CO2 to epoxides," 2021, Journal of CO2 Utilization
  • "Correlation between Second Ionization Potential and Nonlinear Optical Properties of Bivalent Transition-Metal Complexes: A Quantum Chemical Study," 2021, Inorganic Chemistry
  • "Combined experimental, computational studies (synthesis, crystal structural, DFT calculations, spectral analysis) and biological evaluation of the new homonuclear complex Di-µ-benzoato-bis [benzoatodipyridine-cobalt (II)]," 2022, Journal of Molecular Structure
  • "Bis-TTF-Ge derivatives: promising linear and nonlinear optical properties, a theoretical investigation," 2022, New Journal of Chemistry

Collaborations are an important aspect of Henry Chermette's work. Frequent co-authors include Christophe Morell, Lynda Merzoud, Guillaume Hoffmann, Douniazed Hannachi, and Frédéric Guégan.

Best Publications

  • Chemical reactivity indexes in density functional theory

    H. Chermette

  • Density functional theory: A powerful tool for theoretical studies in coordination chemistry

    H Chermette

  • Time-dependent density-functional theory for molecules and molecular solids

    Unknown

  • Obtaining a gradient-corrected kinetic-energy functional from the perdew-wang exchange functional

    A. Lembarki;Henry Chermette

  • Accuracy of approximate kinetic energy functionals in the model of Kohn–Sham equations with constrained electron density: The FH⋅⋅⋅NCH complex as a test case

    Tomasz Adam Wesolowski;Henry Chermette;Jacques Weber

  • Photocatalytic decolorization of Remazol Black 5 (RB5) and Procion Red MX-5B—Isotherm of adsorption, kinetic of decolorization and mineralization

    K. Sahel;N. Perol;H. Chermette;C. Bordes

  • Nine questions on energy decomposition analysis.

    Juan Andrés;Paul W. Ayers;Roberto Álvarez Boto;Ramon Carbó-Dorca

  • Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: all the same?

    Samir Zein;Serguei A. Borshch;Paul Fleurat-Lessard;Mark E. Casida

  • Density functional theory study of some structural and energetic properties of small lithium clusters

    Georges Gardet;François Rogemond;Henry Chermette

  • On the Mechanism of Hydrogen Transfer in the HSCH(O) ⇌ (S)CHOH and HSNO ⇌ SNOH Reactions

    Soledad Gutiérrez-Oliva;Bárbara Herrera;Alejandro Toro-Labbé;Henry Chermette

  • Absorption Spectra of Several Metal Complexes Revisited by the Time-Dependent Density-Functional Theory-Response Theory Formalism

    P. Boulet;Henry Chermette;Claude Daul;F. Gilardoni

  • New τ-dependent correlation functional combined with a modified Becke exchange

    E. Proynov;H. Chermette;D. R. Salahub

  • Assessment of Several Hybrid DFT Functionals for the Evaluation of Bond Length Alternation of Increasingly Long Oligomers

    Denis Jacquemin;Antoine Femenias;Henry Chermette;Ilaria Ciofini

  • Electrical properties of molybdenum disulfide MoS2. Experimental study and density functional calculation results

    O. El Beqqali;I. Zorkani;F. Rogemond;H. Chermette

  • Correct dissociation behavior of radical ions such as H2+ in density functional calculations

    H. Chermette;I. Ciofini;F. Mariotti;C. Daul

  • Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness

    Christophe Morell;Vanessa Labet;André Grand;Henry Chermette

  • Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors.

    Christophe Morell;José L. Gázquez;José L. Gázquez;Alberto Vela;Frédéric Guégan

  • Electron affinity of hydrogen peroxide and the [H2,O2].- potential energy surface : a comparative DFT and ab initio study

    Jan Hrusak;Heike Friedrichs;Helmut Schwarz;Holy Razafinjanahary

  • Electronic structure of the Cu+ impurity center in sodium chloride

    H. Chermette;C. Pedrini

  • Is hyper-hardness more chemically relevant than expected?

    Christophe Morell;André Grand;Alejandro Toro-Labbé;Henry Chermette

  • A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails

    Vincent Tognetti;Christophe Morell;Paul W. Ayers;Laurent Joubert

  • Structure and energetics of hydrogen clusters. Structures of H+11 and H+13. Vibrational frequencies and infrared intensities of the H+2n+1 clusters (n=2–6)

    Michel Farizon;Henry Chermette;Bernadette Farizon‐Mazuy

  • Reactivity Indices in Density Functional Theory: A New Evaluation of the Condensed Fukui Function by Numerical Integration

    François Gilardoni;Jacques Weber;Henry Chermette;Thomas R. Ward

Frequent Co-Authors

Jacques Weber
Jacques Weber University of Geneva
Ilaria Ciofini
Ilaria Ciofini Chimie ParisTech
Carlo Adamo
Carlo Adamo Institut Universitaire de France
Paul W. Ayers
Paul W. Ayers McMaster University
Alejandro Toro-Labbé
Alejandro Toro-Labbé Pontificia Universidad Católica de Chile
Tilmann D. Märk
Tilmann D. Märk University of Innsbruck
Dominique Luneau
Dominique Luneau Claude Bernard University Lyon 1
Gérald Bernardinelli
Gérald Bernardinelli University of Geneva
Jean-Marie Basset
Jean-Marie Basset King Abdullah University of Science and Technology
Denis Jacquemin
Denis Jacquemin University of Nantes

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