Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Rodrigo A. Lemos Silva"'
Autor:
Rodrigo A. Lemos Silva, Daniel F. Scalabrini Machado, Heibbe C. B. de Oliveira, Luciano Ribeiro, Demétrio A. da Silva Filho
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-11 (2022)
Abstract The global increase in drug consumption exposes the growing need to develop new systems for the detection, capture, and treatment of bioactive molecules. Carbamazepine is one instance of such contaminants at the top of the ranking commonly f
Externí odkaz:
https://doaj.org/article/0c016ab151c84ba8afc50dc1c105f0aa
(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability
Autor:
Rodrigo A. Lemos Silva, Mateus R. Barbosa, Caio R. Martins, Daniel F. Scalabrini Machado, Luciano Ribeiro, Heibbe C. B. de Oliveira, Demétrio A. da Silva Filho
Publikováno v:
Molecules, Vol 28, Iss 13, p 5023 (2023)
The iconic caged shape of fullerenes gives rise to a series of unique chemical and physical properties; hence a deeper understanding of the attractive and repulsive forces between two buckyballs can bring detrimental information about the structural
Externí odkaz:
https://doaj.org/article/74a330e69282449693d31bd3e7d4a2fb
Autor:
Rodrigo A. Lemos Silva, Daniel F. Scalabrini Machado, Núbia Maria Nunes Rodrigues, Heibbe C. B. de Oliveira, Luciano Ribeiro, Demétrio A. da Silva Filho
Publikováno v:
Molecules, Vol 27, Iss 9, p 2968 (2022)
In this work, a theoretical investigation of the effects caused by the doping of C20 with silicon (Si) atom as well as the adsorption of CO, CO2 and N2 gases to C20 and C19Si fullerenes was carried out. In concordance with previous studies, it was fo
Externí odkaz:
https://doaj.org/article/a9e1a31da79644e7abfa8c8b75b5a955
Autor:
Rodrigo A. Lemos Silva, Demetrio A. da Silva Filho, Megan E. Moberg, Ted M. Pappenfus, Daron E. Janzen
Publikováno v:
Molecules, Vol 26, Iss 18, p 5487 (2021)
X-ray structural determinations and computational studies were used to investigate halogen interactions in two halogenated oxindoles. Comparative analyses of the interaction energy and the interaction properties were carried out for Br···Br, C-H·
Externí odkaz:
https://doaj.org/article/16caf4a15fe947d08fc3cf0974286498
(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability
Autor:
Filho, Rodrigo A. Lemos Silva, Mateus R. Barbosa, Caio R. Martins, Daniel F. Scalabrini Machado, Luciano Ribeiro, Heibbe C. B. de Oliveira, Demétrio A. da Silva
Publikováno v:
Molecules; Volume 28; Issue 13; Pages: 5023
The iconic caged shape of fullerenes gives rise to a series of unique chemical and physical properties; hence a deeper understanding of the attractive and repulsive forces between two buckyballs can bring detrimental information about the structural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=multidiscipl::99a20026f73efe77d78e92ca8bdf8067
Autor:
Megan E. Moberg, Demetrio A. da Silva Filho, Daron E. Janzen, Ted M. Pappenfus, Rodrigo A. Lemos Silva
Publikováno v:
Molecules
Molecules, Vol 26, Iss 5487, p 5487 (2021)
Volume 26
Issue 18
Molecules, Vol 26, Iss 5487, p 5487 (2021)
Volume 26
Issue 18
X-ray structural determinations and computational studies were used to investigate halogen interactions in two halogenated oxindoles. Comparative analyses of the interaction energy and the interaction properties were carried out for Br···Br, C-H·
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6dfc6fb20ede7fe87a7070d087a84ced
https://pubmed.ncbi.nlm.nih.gov/34576963
https://pubmed.ncbi.nlm.nih.gov/34576963