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http://hdl.handle.net/20.500.12207/5188
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dc.contributor.authorChaves, Humberto-
dc.contributor.authorLobo, A. L.-
dc.contributor.authorPrabhakar, S.-
dc.contributor.authorRzepa, H. S.-
dc.date.accessioned2020-01-31T13:26:08Z-
dc.date.available2020-01-31T13:26:08Z-
dc.date.issued1995-
dc.identifier.citationH. T. Chaves, A. M. Lobo, S. Prabhakar and H. S. Rzepa (1995). A Theoretical Mechanistic Investigation of Asymmetric Aziridination by N-Aryl-O-acylhydroxylamines. American Institute of Physics Conference Proccedings 330 - First European Conference on Computational Chemistry, ed. AIP Press, New York, 140-144.por
dc.identifier.issn0094-243X-
dc.identifier.urihttp://hdl.handle.net/20.500.12207/5188-
dc.description.abstractThis paper reports a theoretical investigation of the most probable mechanism for the asymmetric aziridination of olefins by N‐aryl‐O‐acylhydroxylamines. The transition states of two possible mechanisms (Scheme 2) were studied. The transition state for pathway 2 (oxaziridine as intermediate) has a lower energy of activation than the energy of the transition state for pathway 1. The anionic transition state of pathway 2 is more stable than the neutral transition state.por
dc.language.isoengpor
dc.publisherAIP Press, New Yorkpor
dc.rightsopenAccesspor
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/por
dc.subjectN‐aryl‐O‐acylhydroxylaminespor
dc.subjectSemi-empirical and empirical calculationspor
dc.subjectTransition state theorypor
dc.subjectTransition states mechanismspor
dc.subjectoxaziridinepor
dc.titleA Theoretical mechanistic investigation of asymmetric aziridination by N-Aryl-O-acylhydroxylaminespor
dc.typeconferenceObjectpor
dc.peerreviewedyespor
degois.publication.firstPage140por
degois.publication.lastPage144por
degois.publication.locationNancy, Francepor
degois.publication.titleAmerican Institute of Physics, Conference Proccedings of First European Conference on Computational Chemistrypor
degois.publication.volume330por
dc.identifier.doi10.1063/1.47868por
Appears in Collections:D-TCA - Comunicações com peer review

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