Zobrazeno 1 - 10
of 137
pro vyhledávání: '"Hélio A. Duarte"'
Autor:
Hélio A. Duarte
Publikováno v:
Química Nova, Vol 42, Iss 10, Pp 1146-1153 (2020)
Externí odkaz:
https://doaj.org/article/e2254fed6fda4ccb9571a072c4e718fd
Publikováno v:
The Journal of Physical Chemistry C. 127:3285-3294
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c82d75019a461e4bb1d03309074c5e76
https://doi.org/10.1021/acs.jpcc.2c08276
https://doi.org/10.1021/acs.jpcc.2c08276
Autor:
Guilherme Ferreira de Lima, Selma Fabiana Bazan, Heitor Avelino de Abreu, Hélio Anderson Duarte
Publikováno v:
Revista Virtual de Química. 14:450-467
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::34dd7ce496cd2dcc56484652ab4fd3e8
https://doi.org/10.21577/1984-6835.20220087
https://doi.org/10.21577/1984-6835.20220087
Publikováno v:
Journal of Molecular Modeling. 28
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c94f4c5a95aec75017a9381c0ffc0f42
https://doi.org/10.1007/s00894-022-05263-z
https://doi.org/10.1007/s00894-022-05263-z
Autor:
Rodinei Augusti, Ana Gabriella C. Miguita, Hélio A. Duarte, Alexandre C. Bertoli, Raquel M. Mingote
Publikováno v:
European Journal of Inorganic Chemistry. 2021:1175-1185
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d9e5c31c0afe92ab6b6ca9ac8f6f5d9
https://doi.org/10.1002/ejic.202001140
https://doi.org/10.1002/ejic.202001140
Autor:
Ângela Leão Andrade, Meiry Edivirges Alvarenga, Sérgio Scherrer Thomasi, Hélio A. Duarte, Katia Júlia de Almeida, Mirra Angelina Neres da Silva, Elisângela J. Magalhães, Thaís D. Cardoso
Publikováno v:
Chemical Papers. 75:3091-3102
Levodopa (L-dopa) and carbidopa (C-dopa) are used for the treatment of the Parkinson’s disease. In the present work, an experimental and theoretical investigation about oxidation process of these drugs was able to provide the optimal conditions of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8c70537273d2fda52ceadd46153982b
https://doi.org/10.1007/s11696-021-01532-y
https://doi.org/10.1007/s11696-021-01532-y
Publikováno v:
The journal of physical chemistry. A. 126(10)
Metal-deficient polysulfides have been argued for a long time to be responsible for the low kinetics of chalcopyrite leaching to extract copper. It has been shown that chalcopyrite surfaces are the source of sulfur that is oxidized to form polysulfid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4466468c08d1d2cad54d4ed65120be9f
https://pubmed.ncbi.nlm.nih.gov/35258305
https://pubmed.ncbi.nlm.nih.gov/35258305
Publikováno v:
Journal of Chemical Theory and Computation. 16:1768-1778
The SCC-DFTB repulsion parameters based on the material science set (matsci) were redesigned to describe the structure and dynamic properties of bulk liquid water. The iterative Boltzman inversion ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a89259eef8d497c8c97ae755f8638f6f
https://doi.org/10.1021/acs.jctc.9b00816
https://doi.org/10.1021/acs.jctc.9b00816
Autor:
Djalma Menezes de Oliveira, Wagner da Nova Mussel, Lucienir Pains Duarte, Grácia Divina de Fátima Silva, Hélio Anderson Duarte, Elionai Cassiana de Lima Gomes, Luciana Guimarães, Sidney A. Vieira Filho
Publikováno v:
Química Nova, Vol 35, Iss 10, Pp 1916-1921 (2012)
Friedelin molecular conformers were obtained by Density Functional Theory (DFT) and by ab initio structure determination from powder X-ray diffraction. Their conformers with the five rings in chair-chair-chair-boat-boat, and with all rings in chair,
Externí odkaz:
https://doaj.org/article/1a4465a5e565432e81458da08ce74590
Autor:
Gabriela Cordeiro Silva, Alexandre Carvalho Bertoli, Hélio Anderson Duarte, Ana Cláudia Queiroz Ladeira
Publikováno v:
Journal of Environmental Chemical Engineering. 10:108715
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::889debd4f9bd715a4abb66dfc7df17b3
https://doi.org/10.1016/j.jece.2022.108715
https://doi.org/10.1016/j.jece.2022.108715