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Computational and Theoretical Chemistry(1)
International Journal of Quantum Chemistry(1)
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scopus(3)
Adsorption of Mercury on Oxidized Graphenes
ArticleAbstract: Graphene oxide (GO) and its reduced form, reduced graphene oxide (rGO), are among the most predominaPalabras claves:Adsorption, Graphene oxide, mercury(II), reduced graphene oxideAutores:Arias Polanco M., Bellucci S., Caputi L.S., Cristian Vacacela Gomez, Fabian E. Arias Arias, Fernando Javier Torres, John Marcos Quispillo Moyota, Marco Guevara, Miguel Ángel Sáez Paguay, Scarcello A., Straface S., Talia Tene FernándezFuentes:scopusEthanol adsorption on SrTiO<inf>3</inf> surfaces
ArticleAbstract: Using a quantum chemical method developed for crystalline systems and a periodic large unit cell (LUPalabras claves:Adsorption, electronic structure, ethanol, Periodic LUC model, SrTiO surface 3Autores:Fernando Javier Torres, Stashans A., Viteri R.Fuentes:scopusTheoretical evaluation of metal-functionalized rccc R-pyrogallol[4]arenes as media for molecular hydrogen storage
ArticleAbstract: In the present study, a theoretical investigation of the potential of various metal-functionalized RPalabras claves:Adsorption, DFT, Dispersive forces, H storage 2, Macrocycles, PyrogallolAutores:Andrés S. Urbina, César H. Zambrano, Fernando Javier Torres, Luis Rincon, Miguel Angel Méndez, Soetens J.C., Víctor PosliguaFuentes:scopus