Zobrazeno 1 - 10
of 56
pro vyhledávání: '"Francisco A. P. Osório"'
Publikováno v:
ACS Omega, Vol 9, Iss 36, Pp 38295-38302 (2024)
Externí odkaz:
https://doaj.org/article/09a5b0b3c4364b3c9b3cd15501000a89
Autor:
Krishna Murthy Potla, Poojith Nuthalapati, Jahnavi Thokala Sasi Mohan, Francisco A. P. Osório, Clodoaldo Valverde, Suneetha Vankayalapati, Suchetan Parameshwar Adimule, Sanja J. Armaković, Stevan Armaković, Y. Sheena Mary
Publikováno v:
ACS Omega, Vol 9, Iss 7, Pp 7424-7438 (2024)
Externí odkaz:
https://doaj.org/article/c2649bb0c0a0414981b58983f8e5da1c
Autor:
Clodoaldo Valverde, Renato Medeiros, Leandro R. Franco, Francisco A. P. Osório, Marcos A. Castro, Tertius L. Fonseca
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-10 (2023)
Abstract The linear polarizability, first and second hyperpolarizabilities of the asymmetric unit of DAPSH crystal are studied and compared with available experimental results. The polarization effects are included using an iterative polarization pro
Externí odkaz:
https://doaj.org/article/a8bcf50f242440bfa32c2318fc4b33e7
Autor:
Clodoaldo Valverde, Rafael S. Vinhal, Luiz F. N. Naves, Jean M. F. Custódio, Basílio Baseia, Heibbe Cristhian B. de Oliveira, Caridad N. Perez, Hamilton B. Napolitano, Francisco A. P. Osório
Publikováno v:
Molecules, Vol 27, Iss 8, p 2379 (2022)
A novel 4(1H) quinolinone derivative (QBCP) was synthesized and characterized with single crystal X-ray diffraction. Hirshfeld surfaces (HS) analyses were employed as a complementary tool to evaluate the crystal intermolecular interactions. The molec
Externí odkaz:
https://doaj.org/article/e691a14b36fa449888cb44e2080c5430
Autor:
Clodoaldo Valverde, Sizelizio Alves de Lima e Castro, Gabriela Rodrigues Vaz, Jorge Luiz de Almeida Ferreira, Basílio Baseia, Francisco A. P. Osório
Publikováno v:
Acta Chimica Slovenica, Vol 65, Iss 3, Pp 739-749 (2018)
We report a study of the structural and electrical properties of a carboxylic acid derivative (CAD) with structural formula ((E)-pent-2-enoic acid). Using the Møller-Plesset Perturbation Theory (MP2) and the Density Functional Theory (DFT/CAM-B3LYP)
Externí odkaz:
https://doaj.org/article/1058c01c65ee4d0f8e5ac252a145daa6
Autor:
Clodoaldo Valverde, Ítalo Nuta Ribeiro, João Victor B. Soares, Basílio Baseia, Francisco A. P. Osório
Publikováno v:
Advances in Condensed Matter Physics, Vol 2019 (2019)
In this work, the density functional theory (DFT) calculation combined with a polarizable continuum model (PCM) was used to study the solvent media effects on the electrical and geometrical behaviors of the Schiff-base derivative, (E)-4-[({4-[(pyridi
Externí odkaz:
https://doaj.org/article/770f33b1c0124b64a9cc58333f92214a
Publikováno v:
Crystals, Vol 7, Iss 6, p 158 (2017)
In this article, we study the electric properties of two coumarin derivatives whose difference stems from the change of substituents at 3-position of the pendant benzene ring ( C 18 H 15 NO 3 ) and ( C 18 H 15 NO 4 ). We use the supermolecule approac
Externí odkaz:
https://doaj.org/article/f2e4be98d61d414c8770cdc99b8cad5b
Autor:
Loide O. Sallum, Clodoaldo Valverde, Igor L. Andrade, Giulio D. C. D’Oliveira, Caridad N. Perez, Ademir J. Camargo, Francisco A. P. Osório, Tertius L. Fonseca, Hamilton B. Napolitano
Publikováno v:
New Journal of Chemistry. 46:14192-14204
Two new isostructural halogenated dihydroquinolinones were synthesized and characterized by single crystal X-ray diffraction.
Autor:
Renato Medeiros, Clodoaldo Valverde, Md. Serajul Haque Faizi, Asif Jamal, Francisco A. P. Osório
Publikováno v:
International Journal of Quantum Chemistry. 123
A quinoline derivative, 4-(quinolin-2-ylmethylene)aminophenol was synthesized and structurally characterized by single crystal X-ray diffraction. The crystal packing behaviour and intermolecular interactions were examined by Hirshfeld surface analyse
Autor:
Jaqueline E. Queiroz, Bruno J. Neves, Gilberto L. B. Aquino, Hamilton B. Napolitano, J.J.A. Guimarães-Neto, R. Awad, Carolina Horta Andrade, Clodoaldo Valverde, Francisco A. P. Osório, Jean M. F. Custodio, Melina Mottin, Basílio Baseia, Giuliana Muniz Vila Verde
Publikováno v:
Arabian Journal of Chemistry, Vol 13, Iss 1, Pp 3362-3371 (2020)
Chalcones exhibit a broad spectrum of biological activities, mainly due to α,β-unsaturated ketone, and are precursors of the biosynthesis of flavonoids present in plants. These compounds have been shown to be useful in the biological approach, prov