<?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>2222-145X</journal-id>
<journal-title><![CDATA[Reportes científicos de la FACEN]]></journal-title>
<abbrev-journal-title><![CDATA[Rep. cient. FACEN]]></abbrev-journal-title>
<issn>2222-145X</issn>
<publisher>
<publisher-name><![CDATA[Facultad de Ciencias Exactas y Naturales]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S2222-145X2019000200069</article-id>
<article-id pub-id-type="doi">10.18004/rcfacen.2019.10.2.69</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Estudio conformacional del 1-buteno]]></article-title>
<article-title xml:lang="en"><![CDATA[Conformational study of 1-butene]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[González Herrera]]></surname>
<given-names><![CDATA[Rolvideer Javier]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Martínez Ramírez]]></surname>
<given-names><![CDATA[Karen Ramona]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Núñez]]></surname>
<given-names><![CDATA[Jesús Alberto]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Molas Benítez]]></surname>
<given-names><![CDATA[Daniela]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional de Asunción Facultad de Ciencias Exactas y Naturales ]]></institution>
<addr-line><![CDATA[San Lorenzo ]]></addr-line>
<country>Paraguay</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2019</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2019</year>
</pub-date>
<volume>10</volume>
<numero>2</numero>
<fpage>69</fpage>
<lpage>76</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://scielo.iics.una.py/scielo.php?script=sci_arttext&amp;pid=S2222-145X2019000200069&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.iics.una.py/scielo.php?script=sci_abstract&amp;pid=S2222-145X2019000200069&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.iics.una.py/scielo.php?script=sci_pdf&amp;pid=S2222-145X2019000200069&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen: Se han investigado en forma teórica los rotámeros estables del 1-buteno, como así también la abundancia conformacional en su estado electrónico fundamental, en fase gaseosa y en condiciones normales de presión y temperatura. Se utilizó el método del funcional de la densidad (DFT), con los funcionales híbridos B3LYP, BHandHLYP y bases de Dunning aug-cc-PVnZ (n = D, T, Q), incorporados en el paquete profesional Gaussian 03. Se reportan tres confórmeros estables, dos de ellos isómeros ópticos con conformación no planar en la posición skew y una conformación plana en la posición cis. La abundancia relativa determinada para la conformación planar y no planar es de 70:30 aproximadamente.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract: The stable rotamers of 1-butene have been theoretically investigated, as well as the conformational abundance in its fundamental electronic state, in the gas phase and in normal conditions of pressure and temperature. The density functional method (DFT) was used, with the hybrid functionalities B3LYP, BHandHLYP and Dunning bases aug-cc-PVnZ (n = D, T, Q), incorporated in the Gaussian 03 professional package. Three are reported stabile conformers, including two optical isomers with non-planar conformation in skew position and a planar conformation in the cis position. The reative abundance determined for the planar and non-planar conformation is approximately 70:30.]]></p></abstract>
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<kwd lng="es"><![CDATA[1-buteno]]></kwd>
<kwd lng="es"><![CDATA[confórmeros]]></kwd>
<kwd lng="es"><![CDATA[DFT]]></kwd>
<kwd lng="es"><![CDATA[estudio teórico]]></kwd>
<kwd lng="en"><![CDATA[1-butene]]></kwd>
<kwd lng="en"><![CDATA[conformers]]></kwd>
<kwd lng="en"><![CDATA[DFT]]></kwd>
<kwd lng="en"><![CDATA[theoretical study]]></kwd>
</kwd-group>
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