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Résultat(s) 1 - 5 résultats de 5 pour la requête '"DFT methods"', Temps de recherche: 2,10s Affiner les résultats
  1. 1
    The performance of exchange-correlation functionals in describing electron density parameters of saddle point structures along chemical reactions
    Sujets: “...misc DFT methods...”

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  2. 2
    Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions Exploring density functionals methods and molecular models
    Sujets: “...misc DFT methods...”

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  3. 3
    Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions A theoretical approach
    Sujets: “...misc DFT method...”

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  4. 4
    Interactions of the "piano-stool" [ruthenium(II)(η(6) -arene)(quinolone)Cl](+) complexes with water; DFT computational study
    Sujets: “...misc DFT method...”

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  5. 5
    99Tc NMR as a promising technique for structural investigation of biomolecules theoretical studies on the solvent and thermal effects of phenylbenzothiazole complex
    Sujets: “...misc DFT method...”

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