Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Daniel F. Scalabrini Machado"'
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
(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:
Mateus R. Barbosa, Igor S. Duarte Costa, Thiago O. Lopes, Clodoaldo Valverde, Daniel F. Scalabrini Machado, Heibbe Cristhian B. de Oliveira
Publikováno v:
The journal of physical chemistry. A. 126(48)
The linear and nonlinear properties of the stilbazolium derivative, 2-[2-(3-hydroxy-4-methoxy-phenyl)-vinyl]-1-methyl-pyridinium naphthalene-2-sulfonate dihydrate crystal (VSNS), were investigated using an iterative electrostatic embedding scheme and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::18ecc83fda42a1eaee6cf0ce52594ab7
https://pubmed.ncbi.nlm.nih.gov/36441960
https://pubmed.ncbi.nlm.nih.gov/36441960