Zobrazeno 1 - 10
of 166
pro vyhledávání: '"Gustavo A. Arteca"'
Publikováno v:
Journal of Sulfur Chemistry. 42:464-475
The synthesis, characterization and modeling of two oligothiophenes bearing stable radicals are reported. The radical precursors 2,4-dimethyl-6-(6-(thiophen-2-yl)pyridin-2-yl)-1,2,4,5-tetrazinan-3-...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bdf61cb93f69299c1d9972b9a735df5d
https://doi.org/10.1080/17415993.2021.1909590
https://doi.org/10.1080/17415993.2021.1909590
Autor:
Qiliang Wei, Gustavo A. Arteca, Jaime Pizarro, Nelson Belzile, Louis Mercier, Xiao Yu, Emmanuel Appiah-Hagan, Yuwei Chen
Publikováno v:
Journal of Environmental Chemical Engineering. 6:5498-5509
Modifications of original coal fly ash at low and elevated temperatures with NaOH can all generate improvement in surface area, pore volume and cation exchange capacity. However, modifications at room temperature of fly ash and with a 7-day freezing/
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a147cf6a8d978bf8a942b6a7f109788
https://doi.org/10.1016/j.jece.2018.08.048
https://doi.org/10.1016/j.jece.2018.08.048
Autor:
Emmanuel Appiah-Hagan, Louis Mercier, Xiao Yu, Yuwei Chen, Gustavo A. Arteca, Nelson Belzile, Jaime Pizarro, Qiliang Wei
Publikováno v:
Journal of Environmental Chemical Engineering. 6:2470-2479
This study explores the potential of solid waste as effective and low-cost adsorbing materials to clean waters polluted by the mining sector. The selected adsorbents for our studies were drinking water sludge (SLG), coal fly ash (TB) and modified fly
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4596b0fc96458486491ef3427838e449
https://doi.org/10.1016/j.jece.2018.03.043
https://doi.org/10.1016/j.jece.2018.03.043
Publikováno v:
Journal of Mathematical Chemistry. 52:2395-2410
We have recently proposed an approach where chemical transformations can be described as quantum processes involving the modulation of entangled states by an applied external field (Arteca and Tapia in Phys Rev A 84:012115, 2011). In practical implem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b5bbcb7459ab39813a7a70b2cff029a
https://doi.org/10.1007/s10910-014-0377-2
https://doi.org/10.1007/s10910-014-0377-2
Autor:
Parker Rogerson, Gustavo A. Arteca
Publikováno v:
Journal of Mathematical Chemistry. 50:1901-1919
The native states of the most compact globular proteins have been described as being in the so-called “collapsed-polymer regime,” characterized by the scaling law Rg ~ nν, where Rg is radius of gyration, n is the number of residues, and ν ≈ 1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::67ca53483b52126aab449cfa49e90258
https://doi.org/10.1007/s10910-012-0010-1
https://doi.org/10.1007/s10910-012-0010-1
Publikováno v:
Journal of Mathematical Chemistry. 50:949-970
A quantum description adapted to scrutinize chemical reaction mechanisms obtains by implementing an electronuclear separation via quantum numbers method; truly diabatic base states obtain that sustain quantum states expressed as linear superpositions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb6dd251f7689e5017429002e82467f7
https://doi.org/10.1007/s10910-011-9942-0
https://doi.org/10.1007/s10910-011-9942-0
Autor:
Parker Rogerson, Gustavo A. Arteca
Publikováno v:
Journal of Mathematical Chemistry. 50:169-186
We studied the size scaling behaviour in an ensemble of 8,614 non-redundant protein domains belonging to the all-α, all-β, α / β, and α + β folding classes. We find that the most compact structural domains can be characterized by an effective e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::69b3398f5d23a5799038c5db000a45e4
https://doi.org/10.1007/s10910-011-9904-6
https://doi.org/10.1007/s10910-011-9904-6
Autor:
Parker Rogerson, Gustavo A. Arteca
Publikováno v:
Journal of Mathematical Chemistry. 49:1493-1506
The mean size of the most compact native states of globular proteins, independent of folding type, follows the scaling law of collapsed polymers R g ~ n 1/3, relating the radius of gyration R g to the number of protein residues, n. Until now, this be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aaa645d96848dd742b6a28a9fefb22fc
https://doi.org/10.1007/s10910-011-9825-4
https://doi.org/10.1007/s10910-011-9825-4
Autor:
Gustavo A. Arteca, Paul G. Mezey
Publikováno v:
International Journal of Quantum Chemistry. 36:305-320
Chemical species are usually defined in terms of the potential energy function. In this work we explore the relationships between this definition and an alternative one, based on the concept of molecular shape. The molecular shape is given a quantita
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::823d074020c4a402af47552efa5b0f2d
https://doi.org/10.1002/qua.560360834
https://doi.org/10.1002/qua.560360834
Publikováno v:
Journal of Theoretical and Computational Chemistry. :869-883
Reaction paths are studied with the help of diabatic potential-energy surfaces coupled in a generic external field. We show that all putative geometrical and topological features of two-dimensional (2D) potential-energy surfaces for an isomerization
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d99b66f2210fd83a77b7d3c73263422f
https://doi.org/10.1142/s0219633607003350
https://doi.org/10.1142/s0219633607003350