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Tags: Cálculos DFT

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Estabilidad de espumas formuladas con proteínas de soja tratadas a pH ácido

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A theoretical exploration of catechol sensitization of C-doped bronze TiO2 surfaces for photochemical systems

Tags: Adsorción, Cálculos DFT, Óxido de titanio

On the donor : acceptor features for poly(3-hexylthiophene) : TiO2 quantum dots hybrid materials obtained via water vapor flow assisted sol-gel growth

Tags: Cálculos DFT, Células solares, Materiales híbridos, Óxido de titanio, Puntos cuánticos

New preparation protocols for coumarin-thiosemicarbazone hybrids: solid state characterization, and in silico /NMR studies of the Z/E isomerization equilibria in solution

Tags: Cálculos DFT, Cristalografía, Microondas, Reactores

Raman spectroscopy signatures for monomeric, dimeric and trimeric zinc dimethoxide with tetrahydrofuran adduct and early:

Tags: Cálculos DFT, Condensación, Espectroscopía Raman, Hidrólisis, Zinc

On the electronic properties of defective graphene buffer layer on 6HeSiC(0001)

Tags: Cálculos DFT, Carburo de silicio (SiC), Grafeno, Propiedades electrónicas

Polynuclear complexes in solution : An experimental and theoretical study on the interaction of nitrilotripropionate anion with metal ions

Tags: Cálculos DFT, Complejos polinucleares, Iones de metal, Química Inorgánica

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