Résultat(s) 1 - 13 résultats de 13 pour la requête 'Labat, Frédéric', Temps de recherche: 3,73s Affiner les résultats
  1. 1
    Preface of Carlo Adamo's virtual special issue
    Autres auteurs: “...Labat, Frédéric...”

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  2. 2
    Modeling the spectral properties of poly(x-phenylenediamine) conducting polymers using a combined TD-DFT and electrostatic embedding approach
    Autres auteurs: “...Labat, Frédéric...”

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  3. 3
    Towards a transferable nonelectrostatic model for continuum solvation The electrostatic and nonelectrostatic energy correction model
    Autres auteurs: “...Labat, Frédéric...”

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  4. 4
    Modeling UV-Vis spectra of low dimensional materials using electrostatic embedding The case of CdSe
    Autres auteurs: “...Labat, Frédéric...”

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  5. 5
    Analytical calculation of the solvent-accessible surface area and its nuclear gradients by stereographic projection A general approach for molecules, polymers, nanotubes, helices, and surfaces
    Autres auteurs: “...Labat, Frédéric...”

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  6. 6
    Improving the heterointerface in hybrid organic-inorganic perovskite solar cells by surface engineering Insights from periodic hybrid density functional theory calculations
    par Su, Jun
    Publié dans: Journal of computational chemistry (2020)
    Autres auteurs: “...Labat, Frédéric...”

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  7. 7
    Combined Computational and Experimental Study of CdSeS/ZnS Nanoplatelets Structural, Vibrational, and Electronic Aspects of Core-Shell Interface Formation
    Autres auteurs: “...Labat, Frédéric...”

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  8. 8
    Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals
    Autres auteurs: “...Labat, Frédéric...”

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  9. 9
    B,N-Codoped graphene as catalyst for the oxygen reduction reaction Insights from periodic and cluster DFT calculations
    Autres auteurs: “...Labat, Frédéric...”

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  10. 10
    Modeling emission features of salicylidene aniline molecular crystals A QM/QM' approach
    Autres auteurs: “...Labat, Frédéric...”

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  11. 11
    A comprehensive DFT investigation of bulk and low-index surfaces of ZrO2 polymorphs
    Autres auteurs: “...Labat, Frederic...”

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  12. 12
    Acetylacetone, an interesting anchoring group for ZnO-based organic-inorganic hybrid materials a combined experimental and theoretical study
    Autres auteurs: “...Labat, Frédéric...”

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  13. 13
    Role of nonlocal exchange in molecular crystals the case of two proton-ordered phases of ice

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