Zobrazeno 1 - 10
of 28
pro vyhledávání: '"Boaz Galdino de Oliveira"'
Autor:
Boaz Galdino de Oliveira
Publikováno v:
Semina: Ciências Exatas e Tecnológicas, Vol 43, Iss 2 (2023)
In this compendium, the wide scope of all intermolecular interactions ever known has been revisited, in particular giving emphasis the capability of much of the elements of the periodic table to form non-covalent contacts. Either hydrogen bonds, dihy
Externí odkaz:
https://doaj.org/article/2095b65af3694c69b8cea094a868a51a
Autor:
Maria Angélica Oliveira, Regiane de Cássia M. U. Araújo, Camila da Câmara Lopes, Boaz Galdino de Oliveira
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 13, Iss 3, Pp 188-199 (2021)
In this current study, a selected group of physicochemical descriptors extracted from the formalism of the density functional theory were used for modeling a series of phthalimide congeners with tested hypolipidemic activity once. Based on unsupervis
Externí odkaz:
https://doaj.org/article/025efea2ac504a319c7986f62bf1e24c
Autor:
Camila da Câmara Lopes, Maria Angélica Bonfim Oliveira, Regiane de Cássia M. U. de Araújo, Boaz Galdino de Oliveira
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 13, Iss 3 (2021)
In this current study, a selected group of physicochemical descriptors extracted from the formalism of the density functional theory were used for modeling a series of phthalimide congeners with tested hypolipidemic activity once. Based on unsupervis
Externí odkaz:
https://doaj.org/article/600592e28dca4def8e3924673a5b2397
Autor:
Boaz Galdino de Oliveira
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 11, Iss 3, Pp 205-218 (2019)
In this current work, a brief historical narrative of the most popular theories that decisively aid in the comprehension of the hydrogen bond formation is presented. As is well-known, the valence bond theory was efficiently suitable to certify the el
Externí odkaz:
https://doaj.org/article/bc56efc5fff34847a0636b8f6d69f631
Autor:
Boaz Galdino de Oliveira
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 9, Iss 2, Pp 95-99 (2017)
A theoretical study of the structural parameters, electronic properties and vibration modes of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl complexes. The great particularity of these complexes is the O–Cl s-hole, which is considered a proton dono
Externí odkaz:
https://doaj.org/article/6098f179124b45bba788fd00cd253d92
Autor:
Camila da Câmara Lopes, Renato Queiroga Pordeus, Arlene Gonçalves Corrêa, Boaz Galdino de Oliveira, Mauro Alves Bueno
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 1, Iss 1, Pp 18-27 (2016)
In this work, a molecular modeling study of N-arylanthranilic acid derivatives with inhibitory action on the Cathepsin L enzyme in presented. Firstly, a 3DQSAR study was carried out in order to identify the most important molecular fields, in particu
Externí odkaz:
https://doaj.org/article/cb321ee329e34db8a433f955b4317717
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 1, Iss 1, Pp 1-11 (2016)
In this work, density functional calculations at BHandHLYP/6-311++G(d,p) theoretical level of structural parameters, electronic properties and vibration modes of the C2H2∙∙∙HCN∙∙∙HF and C2H4∙∙∙HCN∙∙∙HF T-shaped hydrogen comple
Externí odkaz:
https://doaj.org/article/f0e3d4855e10438583d25fe08e631015
Autor:
Boaz Galdino de Oliveira
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 9, Iss 2 (2017)
Externí odkaz:
https://doaj.org/article/7916d044cd724cb4923478161c1b2ce5
Autor:
Boaz Galdino de Oliveira
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 8, Iss 1 (2016)
Externí odkaz:
https://doaj.org/article/67f7beaa1d0e407c8ad8fada0f648286
Publikováno v:
Orbital: The Electronic Journal of Chemistry, Vol 1, Iss 2, Pp 156-166 (2009)
This study examines a selected group of p hydrocarbon complexes, represented by C2H4•••HCF3, C2H2•••HCF3, C2H4•••HCF3 and C2H2•••HCF3, from a theoretical point of view. From BPBE/6-311++G(d,p) calculations, the geometrical res
Externí odkaz:
https://doaj.org/article/3ec9fcd8b4ad43358792f1db0559a6dc