Zobrazeno 1 - 10
of 75
pro vyhledávání: '"F. Javier Torres"'
Autor:
Talia Tene, Fabian Arias Arias, Marco Guevara, Adriana Nuñez, Luis Villamagua, Carlos Tapia, Michele Pisarra, F. Javier Torres, Lorenzo S. Caputi, Cristian Vacacela Gomez
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-12 (2022)
Abstract Mercury (Hg(II)) has been classified as a pollutant and its removal from aqueous sources is considered a priority for public health as well as ecosystem protection policies. Oxidized graphenes have attracted vast interest in water purificati
Externí odkaz:
https://doaj.org/article/a1ca6b444466436a965ffb9f4cd93896
Publikováno v:
ACS Omega, Vol 7, Iss 5, Pp 4185-4193 (2022)
Externí odkaz:
https://doaj.org/article/c3a72e40e0dc4c708dc4ad926ced2e95
Autor:
Jose Luis Paz, Marcos Loroño, F. Javier Torres, Lenin A. González-Paz, Edgar Marquez, José R. Mora, Ysaias J. Alvarado, Vladimiro Mujica
Publikováno v:
AIP Advances, Vol 12, Iss 6, Pp 065322-065322-7 (2022)
We construct a kinetic model, analogous to a simple chemical reaction, to describe the spatial propagation of the electromagnetic fields in four-wave mixing spectroscopy in a two-level molecular model, explicitly taking into account the stochastic ef
Externí odkaz:
https://doaj.org/article/d592871648164361b191274ea217e950
Autor:
Luis E. Seijas, Cesar H. Zambrano, Vladimir Rodríguez, Jorge Alí-Torres, Luis Rincón, F. Javier Torres
Publikováno v:
Molecules, Vol 27, Iss 21, p 7283 (2022)
The C–X bond cleavage in different methyl halides (CH3X; X = Cl, Br, I) mediated by 5,6-dimethylbenzimidazole-bis(dimethylglyoximate)cobalt(II) (CoIICbx) was theoretically investigated in the present work. An SN2-like mechanism was considered to si
Externí odkaz:
https://doaj.org/article/51dafdc8823b4761a131a2772f9e066e
Autor:
Talia Tene, Stefano Bellucci, Marco Guevara, Fabian Arias Arias, Miguel Ángel Sáez Paguay, John Marcos Quispillo Moyota, Melvin Arias Polanco, Andrea Scarcello, Cristian Vacacela Gomez, Salvatore Straface, Lorenzo S. Caputi, F. Javier Torres
Publikováno v:
Nanomaterials, Vol 12, Iss 17, p 3025 (2022)
Graphene oxide (GO) and its reduced form, reduced graphene oxide (rGO), are among the most predominant graphene derivatives because their unique properties make them efficient adsorbent nanomaterials for water treatment. Although extra-functionalized
Externí odkaz:
https://doaj.org/article/9f792bdc1ddb4ae1bd99fabbdcbbce0b
Autor:
Juan Zurita, Vladimir Rodriguez, Cesar Zambrano, Jose Ramón Mora, Luis Rincón, F. Javier Torres
Publikováno v:
Molecules, Vol 25, Iss 3, p 530 (2020)
In the present work, a number of R−X⋯NH3 (X = Cl, Br, and I) halogen bonded systems were theoretical studied by means of DFT calculations performed at the ωB97XD/6-31+G(d,p) level of theory in order to get insights on the effect of the electron-
Externí odkaz:
https://doaj.org/article/053d2dcfa84444e79fd5bcdf70e96ef3
Autor:
Robert A. Cazar, F. Javier Torres
Publikováno v:
Universitas Scientiarum, Vol 19, Iss 1, Pp 133-137 (2014)
Pyrogallol[4]arenes are macrocycles with high potential as building blocks for nanocapsules. We theoretically studied the dimeric precursors of 2,8,14,20-tetramethylpyrogallol[4]arene and 2,8,10,14-tetraphenylpyrogallol[4] arene to understand the dyn
Externí odkaz:
https://doaj.org/article/bd87b08b59f744ca98b0f6d0ac7fd5cd
Publikováno v:
Journal of Physics Communications, Vol 7, Iss 6, p 061001 (2023)
One of the primary obstacles in the development of orbital–free density functional theory is the lack of an accurate functional for the Kohn–Sham non-interacting kinetic energy, which, in addition to its accuracy, must also render a good approxim
Externí odkaz:
https://doaj.org/article/10db4f0f84254740a1c7d653b4cc56c6
Autor:
Luis Rincon, F. Javier Torres
Publikováno v:
Conceptual Density Functional Theory. :229-244
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::17703fb62bba3c9b2e1a7971525e52ac
https://doi.org/10.1002/9783527829941.ch12
https://doi.org/10.1002/9783527829941.ch12
Publikováno v:
Journal of Computational Chemistry. 42:818-826
In the present work, the fast amide bond cleavage of [3-((1R,5S,7s)-3-azabicyclo[3.3.1]nonane-7-carbonyl)-3-azabicyclo[3.3.1]nonane-7-carboxylic acid (bi-ATDO)], through an intramolecular nucleophilic attack of an amine group is evaluated. First, six
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f2bdecd1349afc9fb531625e98da341
https://doi.org/10.1002/jcc.26501
https://doi.org/10.1002/jcc.26501