Theoretical study of the SNAr reactions of 1-phenoxy-nitrobenzenes with primary amines

dc.contributor.author	Capilla Nevot, Ana Rosa
dc.contributor.other	Castillo Solsona, Raquel
dc.contributor.other	Universitat Jaume I. Departament de Química Física i Analítica
dc.date.accessioned	2020-03-05T12:29:22Z
dc.date.available	2020-03-05T12:29:22Z
dc.date.issued	2019-07
dc.identifier.uri	http://hdl.handle.net/10234/186864
dc.description	Treball Final de Grau en Química. Codi: QU0943. Curs acadèmic: 2018/2019	ca_CA
dc.description.abstract	The objectives are the following: - Study the influence of the substituents in an aromatic nucleophilic substitution. - Study of the precision of the method used. - Obtain the rate constants and comparison with the experimental constants. For this we use the following quantum methods: AM1, Hartree-Fock and B3LYP methods in vacuum and AM1 and Hartree-Fock in acetonitrile with PCM using the basis set 3-21G.	ca_CA
dc.format.extent	51 p.	ca_CA
dc.format.mimetype	application/pdf	ca_CA
dc.language.iso	eng	ca_CA
dc.publisher	Universitat Jaume I	ca_CA
dc.rights.uri	http://rightsstatements.org/vocab/CNE/1.0/	*
dc.subject	Grau en Química	ca_CA
dc.subject	Grado en Química	ca_CA
dc.subject	Bachelor's Degree in Chemistry	ca_CA
dc.title	Theoretical study of the SNAr reactions of 1-phenoxy-nitrobenzenes with primary amines	ca_CA
dc.type	info:eu-repo/semantics/bachelorThesis	ca_CA
dc.educationLevel	Estudios de Grado	ca_CA
dc.rights.accessRights	info:eu-repo/semantics/restrictedAccess	ca_CA