Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Luiz F A, Ferrão"'
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::71fc7df4a32b7741cb627d4a7cc1f301
https://doi.org/10.1002/jcc.27038
https://doi.org/10.1002/jcc.27038
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::1f0feb2aac152f9632a1e3d1ff410250
https://pubmed.ncbi.nlm.nih.gov/36373956
https://pubmed.ncbi.nlm.nih.gov/36373956
Publikováno v:
Journal of Molecular Modeling. 28
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::553f9d21831c38f8babc58a076b56668
https://doi.org/10.1007/s00894-022-05308-3
https://doi.org/10.1007/s00894-022-05308-3
Autor:
Andrea Santos Liu, Elizabete Yoshie Kawachi, Luiz F. A. Ferrão, Rita de Cássia Lazzarini Dutra, Alexandra Helena de Barros, Marcelo A.P. Pontes
Publikováno v:
Colloid and Polymer Science. 299:1085-1094
Polydapsone is a promising polymer that has been prepared mainly as copolymers. Due to the similarity of dapsone monomer to aniline, its polymerization has been carried out in the same conditions as in the synthesis of polyaniline, but unlike this on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7fb12143bf948113c6f3a25f84669bcd
https://doi.org/10.1007/s00396-021-04829-2
https://doi.org/10.1007/s00396-021-04829-2
Autor:
Jessica de Oliveira Silva, Kamila Pereira Cardoso, Luiz F. A. Ferrão, Elizabete Yoshie Kawachi, Marcio Yuji Nagamachi, Josiane Ribeiro Campos Silva
Publikováno v:
Propellants, Explosives, Pyrotechnics. 45:705-713
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::239e60f7dba80db67a3cea346a3f2646
https://doi.org/10.1002/prep.201900392
https://doi.org/10.1002/prep.201900392
Publikováno v:
Journal of molecular modeling. 28(10)
Clusters are physical entities composed of a few to thousands of atoms with capabilities to develop novel materials, like cluster-assembled materials. In this sense, knowing the electronic structure and physicochemical properties of the isolated clus
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9f393cb88e665ddf74eac5566e354f2b
https://pubmed.ncbi.nlm.nih.gov/36087161
https://pubmed.ncbi.nlm.nih.gov/36087161
Autor:
Lia Junqueira Pimont, Luiz F. A. Ferrão, Paula Cristina Gomes Fernandes, Marcio Yuji Nagamachi, Kamila Pereira Cardoso
Publikováno v:
Journal of Aerospace Technology and Management. :7-10
A gas generating propellants are used as initiators of liquid rocket propellants turbopumps and have as desired characteristic a high-volume production of low-temperature gas. In this context, some formulations of composite propellant containing poly
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cce06f702973557c6422d711e0fb7c7
https://doi.org/10.5028/jatm.etmq.65
https://doi.org/10.5028/jatm.etmq.65
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...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3bbea252d70b859b0ff8ecd7b4119ceb
https://doi.org/10.1021/acs.jpca.9b11264
https://doi.org/10.1021/acs.jpca.9b11264
Autor:
Jessica Santos Gomes, Marcio Yuji Nagamachi, Elizabete Yoshie Kawachi, Kamila Pereira Cardoso, Luiz F. A. Ferrão
Publikováno v:
Journal of Propulsion and Power. 35:115-124
Hybrid propellants are of great interest in space propulsion, but their use has been limited due to the low burning rate of their solid fuel. The use of paraffin was a breakthrough, but these grain...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62633b8a676aa2bd22f1b897fbed479c
https://doi.org/10.2514/1.b36977
https://doi.org/10.2514/1.b36977
Chemical bond plays a central role in the description of the physicochemical properties of molecules and solids and it is essential to several fields in science and engineering, governing the material’s mechanical, electrical, catalytic and optoele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::954efef3cc8967ebb80a857d1fdb75c0
https://doi.org/10.26434/chemrxiv.11860941.v1
https://doi.org/10.26434/chemrxiv.11860941.v1
