Zobrazeno 1 - 10
of 207
pro vyhledávání: '"Francisco B. C. Machado"'
Publikováno v:
ACS Omega, Vol 5, Iss 37, Pp 23975-23982 (2020)
Externí odkaz:
https://doaj.org/article/5424be5e56df4ddc94f385fe4fd9a40c
Autor:
Rafael M. Vichietti, Rene F. K. Spada, Albérico B. F. da Silva, Francisco B. C. Machado, Roberto L. A. Haiduke
Publikováno v:
ACS Omega, Vol 4, Iss 18, Pp 17843-17849 (2019)
Externí odkaz:
https://doaj.org/article/af1fbf9195ec42e78923c48ca38b4496
Autor:
Bruno D. Milanez, Gustavo M. dos Santos, Max Pinheiro, Leonardo T. Ueno, Luiz F. A. Ferrão, Adelia J. A. Aquino, Hans Lischka, Francisco B. C. Machado
Publikováno v:
Journal of Computational Chemistry. 44:755-765
Autor:
Bruno D, Milanez, Gustavo M, Dos Santos, Max, Pinheiro, Leonardo T, Ueno, Luiz F A, Ferrão, Adelia J A, Aquino, Hans, Lischka, Francisco B C, Machado
Publikováno v:
Journal of computational chemistryREFERENCES.
The chemical stability and the low-lying singlet and triplet excited states of BN-n-acenes (n = 1-7) were studied using single reference and multireference methodologies. From the calculations, descriptors such as the singlet-triplet splitting, the n
Publikováno v:
Journal of Molecular Modeling. 28
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
Publikováno v:
Journal of Materials Chemistry C. 8:7793-7804
The development of efficient organic-based photovoltaic devices is a vibrant area of research with the potential of providing a cheap source of sustainable energy to society. The attainable power conversion efficiencies could be strongly enhanced via
Publikováno v:
The Journal of Physical Chemistry A. 124:454-463
With the rise of cluster-assembled materials, an index that is able to rank and identify stable clusters or molecules is of great interest in materials sciences and engineering. In the present work...
Publikováno v:
Inorganic Chemistry. 58:14777-14789
To better understand why hypervalent F, O, N, C, and B compounds are rarely stable, we carried out a systematic study of 28 systems, including anionic, cationic, and neutral molecules, held together by covalent, hypervalent, and noncovalent bonds. Mo
Publikováno v:
Journal of Molecular Modeling. 27
The reaction between carbon monoxide and water was studied occurring in an aerosol medium rich in methanol. This environment is plausible for the primitive and prebiotic Earth atmosphere. The chemical environment is expressed in terms of dielectric c