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Year: 2018 Subject: Química Subject: Física

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Title: Comparisons of the spectroscopic and microbiological activities among coumarin-3-carboxylate, o-phenanthroline and zinc(II) complexes
Author: Islas, María Soledad / Martínez Medina, Juan José / Piro, Oscar Enrique / Echeverría, Gustavo Alberto / Ferrer, Evelina Gloria / Williams, Patricia Ana María
Language: Inglés
Repository: 37
Subject: Física / Ciencias Exactas / Ciencias Naturales / Química / Zn complexes / Behavior against alkaline phophatase / Antimicrobial activities / NMR spectroscopy / Vibrational spectroscopy / Coumarin-3-carboxylic acid

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Title: Theoretical modelling of chiral modifier/substrate interaction for Enantioselective Hydrogenation of p-Isobutylacetophenone
Author: Recupero, Francisco / Casella, Mónica Laura / Ruggera, José Fernando
Language: Inglés
Repository: 37
Subject: Física / Química / Ciencias Exactas / Modelado molecular / Dft / Enantioselectividad / Hidrogenación

Acceder
Title: Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions
Author: Alcoba, Diego Ricardo / Torre, Alicia / Lain, Luis / Massaccesi, Gustavo Ernesto / Oña, Ofelia Beatriz / Honoré, Eduardo Misael / Poelmans, Ward / Van Neck, Dimitri / Bultinck, Patrick / De Baerdemacker, Stijn
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / density-matrix / Variational methods / configuration interaction / DOCI

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Title: Reaction kinetics and mechanisms of organosilicon fungicide flusilazole with sulfate and hydroxyl radicals
Author: Mercado Castro, Donaldo Fabio / Bracco, Larisa L. B. / Arques, Antonio / González, Mónica Cristina / Caregnato, Paula
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / flusilazole / fungicide degradation / degradation mechanism / sulfate radical / hydroxyl radical / photo-fenton

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