<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>0187-893X</journal-id>
<journal-title><![CDATA[Educación química]]></journal-title>
<abbrev-journal-title><![CDATA[Educ. quím]]></abbrev-journal-title>
<issn>0187-893X</issn>
<publisher>
<publisher-name><![CDATA[Universidad Nacional Autónoma de México, Facultad de Química]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0187-893X2019000100080</article-id>
<article-id pub-id-type="doi">10.22201/fq.18708404e.2019.1.63867</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Ejercitación computacional para estudiar reacciones de sustitución nucleofílica aromática bimolecular]]></article-title>
<article-title xml:lang="en"><![CDATA[Computational execies to study reactions of Bimolecular aromatic nucleophilic substitution]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cappetta]]></surname>
<given-names><![CDATA[Jorge Esteban]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Micheli]]></surname>
<given-names><![CDATA[César Alfonso]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de Morón Facultad de Ciencias Exactas, Químicas y Naturales ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Argentina</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad de Morón Facultad de Ciencias Exactas Instituto de Química Básica y Aplicada]]></institution>
<addr-line><![CDATA[Morón ]]></addr-line>
<country>Argentina</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>00</month>
<year>2019</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>00</month>
<year>2019</year>
</pub-date>
<volume>30</volume>
<numero>1</numero>
<fpage>80</fpage>
<lpage>92</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0187-893X2019000100080&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0187-893X2019000100080&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0187-893X2019000100080&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen En el presente trabajo se pone en evidencia como, haciendo uso de metodologías computacionales de simulación empleando programas hasta el nivel semiempírico (PM6), puede encararse el análisis estructural y energético de cuatro reacciones similares en su desarrollo, ocurrentes con el mismo mecanismo subyacente: sustitución nucleofílica aromática bimolecular. Esto con el objetivo de estimular en el manejo de la química computacional orgánica básica, a alumnos de profesorado y universitarios en el área de las ciencias exactas. A los efectos se los orientará para validar los resultados obtenidos por simulación, interpretándolos mediante el uso del lenguaje clásico de la química orgánica mecanística, sin intentar encarar problemáticas de éste tipo con metodologías más avanzadas que excederían el nivel de interpretación alcanzado en ésta propuesta.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract In the present work it is evident how, using computational methodologies of simulation using programs until the semi-empirical level (PM6), the structural and energetic analysis can be compared of four similar reactions in their development, occurring with the same underlying mechanism: bimolecular aromatic nucleophilic substitution. This aims to stimulate the management of basic organic computational chemistry, tertiary-level faculty and university students in the area of &#8203;&#8203;exact sciences. To this end, they will be oriented to validate the results obtained by simulation, interpreting them through the use of the classical language of mechanistic organic chemistry, without attempting to address problems of this type with more advanced methodologies that would exceed the level of interpretation reached in this proposal.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Sustitución bimolecular aromática nucleofílica]]></kwd>
<kwd lng="es"><![CDATA[compuestos orgánicos de azufre bivalente]]></kwd>
<kwd lng="es"><![CDATA[química orgánica computacional]]></kwd>
<kwd lng="es"><![CDATA[reactividad comparada]]></kwd>
<kwd lng="en"><![CDATA[Nucleophilic aromatic bimolecular substitution]]></kwd>
<kwd lng="en"><![CDATA[bivalent sulphur organic compounds]]></kwd>
<kwd lng="en"><![CDATA[computational organic chemistry]]></kwd>
<kwd lng="en"><![CDATA[compared reactivity]]></kwd>
</kwd-group>
</article-meta>
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