Zobrazeno 1 - 10
of 64
pro vyhledávání: '"Jadson Cláudio Belchior"'
Publikováno v:
Química Nova, Vol 30, Iss 2, Pp 497-500 (2007)
A simple method to obtain molecular Cartesian coordinates as a function of vibrational normal modes is presented in this work. The method does not require the definition of special matrices, like the F and G of Wilson, neither of group theory. The Ec
Externí odkaz:
https://doaj.org/article/0890dec13eba430693c592eb9139a48e
Publikováno v:
Journal of Chemical Education. 98:2574-2577
Periodicity in electronic molar entropy values has been shown on the basis of the electronic structures of the elements. Also, with the approximations discussed herein, one can estimate the electronic molar entropy without atomic spectroscopy results
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ddf6307f3d1481ba0b97b7f88eb0c7fd
https://doi.org/10.1021/acs.jchemed.1c00140
https://doi.org/10.1021/acs.jchemed.1c00140
Autor:
Camila de Sousa Caneschi, Francine Benetti, Luiz Carlos Alves de Oliveira, Jadson Cláudio Belchior, Raquel Conceição Ferreira, Allyson Nogueira Moreira, Luís Fernando dos Santos Alves Morgan
Publikováno v:
Clinical oral investigations.
The development of new bleaching agents with minimum concentration of hydrogen peroxide (HP), without adverse effects, and with bleaching effectiveness, has great clinical relevance. The aim of this study was to evaluate the bleaching efficacy and cy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c7f96ad362cbc3206d98d007ae4833b
https://pubmed.ncbi.nlm.nih.gov/36607491
https://pubmed.ncbi.nlm.nih.gov/36607491
Autor:
Leonardo A. De Souza, Eduardo R. Almeida, Joyce H. C. e Silva, Jadson Cláudio Belchior, Diego Paschoal, Hélio F. Dos Santos, Wagner B. De Almeida
Publikováno v:
RSC Advances. 11:599-611
Prediction of NMR chemical shifts can assist experimentalists in the characterization of drug delivery systems based on carbon nanocomposites. Chemical shifts are strongly correlated to the nucleus position and its chemical neighborhood. Therefore, t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f1cf304648962b71a1764374e45add10
https://doi.org/10.1039/d0ra06044e
https://doi.org/10.1039/d0ra06044e
Autor:
Patricia P. de Souza, Jadson Cláudio Belchior, Geison Voga Pereira, Laura Maia De Araújo, Plínio César de Carvalho Pinto, Luiz C.A. Oliveira, Henrique S. Oliveira
Publikováno v:
International Nano Letters. 10:141-149
In this work, we developed an efficient absorbent material pellet-based made of calcium oxide to capture part of the CO2 emitted by motor vehicles, to obtain an innovative technology for controlling the emission of greenhouse gases. Problems with CO2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ab49d0d205bed04dd3e06455b44039d9
https://doi.org/10.1007/s40089-020-00303-z
https://doi.org/10.1007/s40089-020-00303-z
Publikováno v:
Journal of molecular graphicsmodelling. 108
We present a detailed study of the Li+ ion adsorption on two different hydrogenated carbon nanostructures, namely as pristine graphene (PG) and topologic Stone-Wales defective graphene (SWG) using the density functional theory (DFT). The studies are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0e6a9635a95c560bbed08fe95740687
https://pubmed.ncbi.nlm.nih.gov/34371459
https://pubmed.ncbi.nlm.nih.gov/34371459
Publikováno v:
International Journal of Quantum Chemistry. 121
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37f8e8994a2299c013656a7df2f208a5
https://doi.org/10.1002/qua.26562
https://doi.org/10.1002/qua.26562
Autor:
Leonardo A. De Souza, Caio L. Firme, Acassio Rocha-Santos, Italo C Anjos, Jadson Cláudio Belchior, Frederico T. Silva
Publikováno v:
Journal of Molecular Modeling. 26
Alloy clusters of NaxLiy (4 ≤ x + y ≤ 10) are studied by exploring the potential energy surface in the ab initio MP2 level with the support of a quantum genetic algorithm (QGA). In some cases, the structures have been also refined with DFT and co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::00f180095d4b3872e8225e0aaef6cc8f
https://doi.org/10.1007/s00894-020-04576-1
https://doi.org/10.1007/s00894-020-04576-1
Autor:
Leonardo A. De Souza, Eduardo R. Almeida, Wagner B. De Almeida, Jadson Cláudio Belchior, Hélio F. Dos Santos
Publikováno v:
Chemical Physics Letters. 774:138619
Computational methods were used to study the release of cisplatin (cDDP) from inclusion complex formed by cDDP and oxidized carbon nanotube (CNTox). The gas phase Gibbs free energy profile showed that the releasing process is exergonic by ~−25 kcal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f5472f40db572cb01463a6dddd8583bb
https://doi.org/10.1016/j.cplett.2021.138619
https://doi.org/10.1016/j.cplett.2021.138619
Publikováno v:
Frontiers in Chemistry, Vol 7 (2019)
Frontiers in Chemistry
Frontiers in Chemistry
A new procedure is suggested to improve genetic algorithms for the prediction of structures of nanoparticles. The strategy focuses on managing the creation of new individuals by evaluating the efficiency of operators (o1, o2,…,o13) in generating we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::938dbe648c02d24f68cb784c14023fde
https://www.frontiersin.org/article/10.3389/fchem.2019.00707/full
https://www.frontiersin.org/article/10.3389/fchem.2019.00707/full