Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Oswaldo Treu-Filho"'
Autor:
Flávio Junior Caires, Wilhan Donizete Gonçalves Nunes, Caroline Gaglieri, André Luiz Carneiro Soares do Nascimento, José Augusto Teixeira, Geórgia Alvim Coelho Zangaro, Oswaldo Treu-Filho, Massao Ionashiro
Publikováno v:
Materials Research, Vol 20, Iss 4, Pp 937-944 (2017)
Solid-state LnL3∙nH2O complexes, where Ln stands for trivalent lanthanides (Tb to Lu) or yttrium(III) and L is oxamate (NH2COCO2-), have been synthesized. The characterization of the complexes was performed by using elemental analysis (EA), complex
Externí odkaz:
https://doaj.org/article/ddc9cdcb250b4d099aecf02207dd7141
Autor:
Carolina V Barra, Oswaldo Treu Filho, Fillipe Vieira Rocha, Thales R Moura, Adelino V Godoy Netto, Antonio E Mauro, José C Pinheiro, Rogério T Kondo
Publikováno v:
Acta Chimica Slovenica, Vol 62, Iss 3, Pp 662-671 (2015)
Theoretical molecular structures of the complexes [PdCl2(HmPz)2] (1) and [PdCl2(HIPz)2] (2) (HmPz = 4-methylpyrazole; HIPz = 4-iodopyrazole) were studied using B3LYP/DFT method. The new complex (2) and the complex (1) were synthesized and characteriz
Externí odkaz:
https://doaj.org/article/23f96f5f114a4185af49d9fcd1189809
Autor:
Alexandre Cuin, José Augusto Teixeira, Oswaldo Treu-Filho, Flávio Júnior Caires, Leandro M. C. Pinto, F.A. Santos, Tiago André Denck Colman, Cláudio Teodoro de Carvalho, Kátia Veronica Tenório
Publikováno v:
Web of Science
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
Made available in DSpace on 2019-10-04T12:31:01Z (GMT). No. of bitstreams: 0 Previous issue date: 2018-10-01 Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ebd8d05997b7d73d3661415b5fb927e4
https://doi.org/10.1016/j.jre.2018.03.019
https://doi.org/10.1016/j.jre.2018.03.019
Autor:
Flávia Aparecida Resende Nogueira, Silmara C. Lazarini, Pedro P. Corbi, Wilton R. Lustri, Bruna Cardinali Lustri, Renata Aquino, André Capaldo Amaral, Oswaldo Treu Filho, Hernane da Silva Barud, Antonio Carlos Massabni, Maria Aline C. Silva
Publikováno v:
Journal of Molecular Structure. 1134:386-394
The present article describes the synthesis and biological studies in vitro of a novel silver complex with furosemide (Ag-FSE). Elemental, thermal and mass spectrometric analysis indicated a 1:1 metal/ligand composition, with the molecular formula Ag
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff40ef366a79a0c4144730f247f81c31
https://doi.org/10.1016/j.molstruc.2016.12.056
https://doi.org/10.1016/j.molstruc.2016.12.056
Autor:
Massao Ionashiro, D. J C Gomes, Flávio Junior Caires, Tiago André Denck Colman, Rita de Cássia da Silva, Oswaldo Treu Filho
Publikováno v:
Journal of Analytical and Applied Pyrolysis. 111:132-139
Solid-state Ln(C 9 H 5 NO 2 ) 3 ·2H 2 O, where Ln stands for light trivalent lanthanides (La to Gd, except Pm) and C 9 H 5 NO 2 is nicotinate, were synthesized. The methods of simultaneous thermogravimetry and differential scanning calorimetry (TG
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::30c8084bac029b2799a5711fbc6e7352
https://doi.org/10.1016/j.jaap.2014.11.021
https://doi.org/10.1016/j.jaap.2014.11.021
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 716:89-92
The scheme named generator coordinate Hartree–Fock method (GCHF) is used to build (22s14p) and (33s22p16d9f) gaussian basis sets to S ( 3 P) and Pt ( 3 D) atoms, respectively. Theses basis sets are contracted to [13s10p] and [19s13p9d5f] through of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df4a67126a8decefc24f6b100c1411ac
https://doi.org/10.1016/j.theochem.2004.10.080
https://doi.org/10.1016/j.theochem.2004.10.080
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 671:71-75
Gaussian basis sets (24s14p, 30s19p14d, and 33s21p14d for O ( 3 P), Ti ( 5 S), and Ba ( 1 S) atoms, respectively), are designed with the strategy of the Generator Coordinate Hartree-Fock method. The basis sets are then contracted to [6s4p], [10s5p4d]
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::314565a94ee3d9701fa19d598bf338ba
https://doi.org/10.1016/j.theochem.2003.10.032
https://doi.org/10.1016/j.theochem.2003.10.032
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 668:109-112
Gaussian basis sets were developed with the Generator Coordinate Hartree–Fock (GCHF) method for the atoms from H (14s), O (23s16p), and Al (29s19p) in the ground state. These basis sets were then contracted to 3s (12,1,1), 5s3p (18,2,1,1,1/14,1,1),
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fe3b1a5d7a336c1146e2185bc1193e62
https://doi.org/10.1016/j.theochem.2003.10.030
https://doi.org/10.1016/j.theochem.2003.10.030
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 668:113-117
The approach called generator coordinate Hartree–Fock (GCHF) method is used in the selection of Gaussian basis set [25s18p for O ( 3 P), 31s21p14d for Mn ( 6 S), and 33s22p16d9f for Pr ( 4 J)] for atoms. The role of the weight functions in the asse
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::50df15ee1132b40304d56500f82659fc
https://doi.org/10.1016/j.theochem.2003.10.031
https://doi.org/10.1016/j.theochem.2003.10.031
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 624:153-157
Contracted GTF basis sets designed with aid of the Generator Coordinate Hartree–Fock (GCHF) method for H(2S), O2−(1S), and Cr3+(4F) atomic species are applied to perform theoretical interpretation of the Raman spectrum of hexaaquachromium(III) io
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::79897b1781e715296ae7ee0e3f80f3a9
https://doi.org/10.1016/s0166-1280(02)00774-1
https://doi.org/10.1016/s0166-1280(02)00774-1