Výsledky vyhledávání - "Fabio L.P. Costa"

Akademický článek

3-Ishwarone, a Rare Ishwarane Sesquiterpene from Peperomia scandens Ruiz & Pavon: Structural Elucidation through a Joint Experimental and Theoretical Study

Autor: Fernando M. dos S., Leosvaldo S. M. Velozo, Erika M. de Carvalho, André M. Marques, Ricardo M. Borges, Ana Paula F. Trindade, Maria Isabel S. dos Santos, Ana Carolina F. de Albuquerque, Fabio L.P. Costa, Maria Auxiliadora C. Kaplan, Mauro B. de Amorim

Publikováno v: Molecules, Vol 18, Iss 11, Pp 13520-13529 (2013)

3-Ishwarone, (1), a sesquiterpene with a rare ishwarane skeleton, was isolated from Peperomia scandens Ruiz & Pavon (Piperaceae). Its structure was unambiguously determined by 1D- and 2D-NMR and infrared analyses, as well as by comparative theoretica

Externí odkaz: https://doaj.org/article/0a2e35b028814d178d9d3ee9546b7969

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Fragmentation route of doubly ionized benzene, aniline, and nitroanilines monomers using a novel protocol from density functional theory and QTAIM

Autor: Carlos X. Oliveira, Fabio L.P. Costa, Gunar V. S. Mota

Publikováno v: Journal of Molecular Modeling. 29

The possibility of finding the fragmentation routes by theoretical methods, led us to compare the molecular ions between neutral molecules of benzene, aniline, and o-, m-, and p-nitroaniline, using the Density Functional Theory (DFT), under an aug-cc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::decb7aac836beb94e3dfd5d09700b949
https://doi.org/10.1007/s00894-023-05461-3

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