Zobrazeno 1 - 10 of 36 pro vyhledávání: '"Almeida Wagner B. De"'
1
Akademický článek
Synthesis, Characterization and Theoretical Calculations of Novel Five Membered Rings Containing Phosphorus and Arsenic Atoms
Autor: Rocha Willian R., Duarte Leopoldo W. M., Almeida Wagner B. De, Caliman Vinicius
Publikováno v: Journal of the Brazilian Chemical Society, Vol 13, Iss 5, Pp 597-605 (2002)
The synthesis of two new arsadiphospholes of formula (AsP2C2Bu t2 )CH(SiMe3)2, from 4-arsa-1,2-diphosphacyclopentadienyl and 2-arsa-1,4-diphosphacyclopentadienyl ring anions are reported together with their characterization by 31P NMR. Ab initio calc
Externí odkaz: https://doaj.org/article/306b8a1be17a46008a71ad0312d99ba5
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2
Akademický článek
On the cis ® trans isomerization of the square-planar [Pt(Cl)(SnCl3)(PH3)2] compound: ab initio gas phase reaction mechanism and solvent effects using continuum models
Autor: Rocha Willian R., Almeida Wagner B. de
Publikováno v: Journal of the Brazilian Chemical Society, Vol 11, Iss 2, Pp 112-120 (2000)
The cis -> trans isomerization of the d8 square planar [Pt(Cl)(SnCl3)(PH3)2 ] compound was investigated at the MP4(SDQ)//MP2 level of theory. The optimized structures located on the gas-phase potential energy surface indicate that this reaction proce
Externí odkaz: https://doaj.org/article/9efe9135529d4a9fa9438a44701eea40
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3
Akademický článek
Theoretical and experimental investigation of the formation of E- and Z-Aldimines from the reaction of methylamine with acetaldehyde
Autor: Pliego Jr. Josefredo R., Alcântara Antônio Flávio de C., Veloso Dorila Piló, Almeida Wagner B. de
Publikováno v: Journal of the Brazilian Chemical Society, Vol 10, Iss 5, Pp 381-388 (1999)
The reaction of methylamine with acetaldehyde in pentane at 230 K leads to formation of both E- and Z- aldimines, the Z-isomer being the main product and generated upon kinetic control. The E- form is more stable than the Z- form by 3.3 kcal/mol (del
Externí odkaz: https://doaj.org/article/a116b983795e4f18afb45026ade45f77
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4
Akademický článek
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5
Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4’-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester and 5-Methyl-1-(phenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester
Autor: Freitas, Maria C. R., Campos, Vinicius R., Resende, Jackson A. L. C., Silva, Marcos M. P. da, Ferreira, Vitor F., Cunha, Anna Claudia, Carneiro, José W. M., Lage, Mateus R., Souza, Leonardo A. de, Silva, Haroldo C., Almeida, Wagner B. de
Publikováno v: Journal of the Brazilian Chemical Society v.31 n.5 2020
Journal of the Brazilian Chemical Society
Sociedade Brasileira de Química (SBQ)
instacron:SBQ
Journal of the Brazilian Chemical Society, Volume: 31, Issue: 5, Pages: 867-885, Published: 30 APR 2020
We reported experimental and theoretical investigation of conformers of 1,2,3-triazole derivatives, substances of exclusively synthetic origin, subject of extensive studies, because of several biological properties, such as antiviral, antimicrobial a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::ba8ad182281e0abe9becb7940f753c44
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532020000500867
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6
Akademický článek
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8
The Effect of Gamma-Al2O3 Support on the NO Adsorption on Pd4 Cluster
Autor: Prates,Letícia M., Ferreira,Glaucio B., Carneiro,José W. M., Almeida,Wagner B. de, Carauta,Alexandre N. M., Correia,Julio C. G., Cruz,Maurício T. M.
Publikováno v: Journal of the Brazilian Chemical Society, Volume: 27, Issue: 11, Pages: 2062-2069, Published: NOV 2016
Journal of the Brazilian Chemical Society v.27 n.11 2016
Journal of the Brazilian Chemical Society
Sociedade Brasileira de Química (SBQ)
instacron:SBQ
The effect of γ-Al2O3 support on the NO adsorption on Pd4 clusters was investigated by means of density functional theory (DFT) calculations. Pd4 adsorbed on γ-Al2O3 (represented by a Al14O24H6 cluster) changes its preferential geometry from tetrah
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::d2cfe685314aa72898a9a7496bc72824
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532016001102062&lng=en&tlng=en
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9
Espectro infravermelho e análise conformacional do composto 3-fenil-2-oxo-1,2,3-oxatiazolidina
Autor: Santos Hélio F. dos, Almeida Wagner B. de, Val Amélia M. G. do, Guimarães Afonso C.
Publikováno v: Química Nova, Vol 22, Iss 5, Pp 732-736 (1999)
The infrared (IR) spectra of the four distict conformers located on the multidimensional potential energy surface (PES) for the 3-phenyl-1,2,3-oxathiazolidine 2-oxide compound have been calculated using the semiempirical quantum-mechanical method PM3
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doajarticles::3d981545e7798191e698eb6f1a7ca0d7
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421999000500017
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10
Theoretical and experimental study of inclusion complexes formed by isoniazid and modified β-Cyclodextrins: 1H NMR structural determination and antibacterial activity evaluation
Autor: Teixeira, Milena G., Assis, João V. de, Soares, Cássia G. P., Venâncio, Mateus F., Lopes, Juliana F., Nascimento Jr, Clebio S., Anconi, Cleber P. A., Carvalho, Guilherme S. L., Lourenço, Cristina S., Almeida, Mauro V. de, Fernandes, Sergio A., Almeida, Wagner B. de
Publikováno v: LOCUS Repositório Institucional da UFV
Universidade Federal de Viçosa (UFV)
instacron:UFV
Me-β-cyclodextrin (Me-βCD) and HP-β-cyclodextrin (HP-βCD) inclusion complexes with isoniazid (INH) were prepared with the aim of modulating the physicochemical and biopharmaceutical properties of the guest molecule, a well-known antibuberculosis
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3056::1e138702201e388038492515188616b9
http://www.locus.ufv.br/handle/123456789/19079
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