<?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>0120-2804</journal-id>
<journal-title><![CDATA[Revista Colombiana de Química]]></journal-title>
<abbrev-journal-title><![CDATA[Rev.Colomb.Quim.]]></abbrev-journal-title>
<issn>0120-2804</issn>
<publisher>
<publisher-name><![CDATA[Departamento de Química,  Universidad Nacional de Colombia.]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0120-28042019000200040</article-id>
<article-id pub-id-type="doi">10.15446/rev.colomb.quim.v48n2.78807</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Evaluación teórica de las propiedades electrónicas y estructurales que afectan a la conductividad eléctrica en copolímeros de furano-tiofeno]]></article-title>
<article-title xml:lang="en"><![CDATA[Theoretical evaluation of the electronic and structural properties that affect the electrical conductivity in furan-thiophene copolymers]]></article-title>
<article-title xml:lang="pt"><![CDATA[Avaliação teórica das propriedades eletrônicas e estruturais que afetam à condutividade eléctrica em copolímeros de furano-tiofeno]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Anaya Gil]]></surname>
<given-names><![CDATA[Jorge Luis]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Drosos Ramirez]]></surname>
<given-names><![CDATA[Juan Carlos]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Vergara Lorduy]]></surname>
<given-names><![CDATA[Javier Ernesto]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Toro Rojas]]></surname>
<given-names><![CDATA[Juan Pablo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Vivas Reyes]]></surname>
<given-names><![CDATA[Ricardo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
<xref ref-type="aff" rid="A a"/>
<xref ref-type="aff" rid="A4"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de Cartagena Facultad de Ciencias Exactas y Naturales ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad de Cartagena Facultad de Ciencias Exactas y Naturales ]]></institution>
<addr-line><![CDATA[Cartagena ]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Fundación Universitaria Comfenalco Facultad de Ingenierías Programa de Ingeniería Industrial]]></institution>
<addr-line><![CDATA[Cartagena ]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af4">
<institution><![CDATA[,Corporación Universitaria Rafael Núñez Facultad de la Salud Programa de Medicina]]></institution>
<addr-line><![CDATA[Cartagena ]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>08</month>
<year>2019</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>08</month>
<year>2019</year>
</pub-date>
<volume>48</volume>
<numero>2</numero>
<fpage>40</fpage>
<lpage>45</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_arttext&amp;pid=S0120-28042019000200040&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_abstract&amp;pid=S0120-28042019000200040&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_pdf&amp;pid=S0120-28042019000200040&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen Desde el punto de vista científico y tecnológico ha habido un gran interés en el uso de monosustituyentes de furano y tiofeno como polímeros conductores, debido a sus múltiples aplicaciones como OLED, amplificadores ópticos, nanotecnología, entre otros. Por ello, el propósito de este trabajo fue estudiar los aspectos teóricos que afectan las propiedades electroconductoras de este tipo de moléculas. Se determinaron teóricamente los aspectos estructurales y electrónicos que influyeron en la conductividad de copolímeros de furano-tiofeno monosustituidos, al utilizar grupos carboxilos, metilos, hidroxilos, ciano y fluoruros como sustituyentes en el carbono C3 y C10 de cada heterociclo. La diferencia de energía entre el LUMO y el HOMO (band gap, Eg) y el potencial de ionización (PI) fue calculada a partir de las geometrías optimizadas en DFT para el estado neutro, anión y catión. Los PI y la Eg de los copolímeros fueron obtenidos mediante la extrapolación de los valores del oligómero a (1/N) y de una cadena de longitud infinita (1/N=0), obteniéndose una correlación lineal (R=0,99), la cual se mantiene a lo largo de todos los modelos de ajuste de cada copolímero analizado en el estudio.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract There has been great scientific and technological interest in the use of mono-substituents of furan and thiophene as conducting polymers due to their multiple applications such as OLED, optical amplifiers and nanotechnology, among others. For this, the purpose of this work was to study the theoretical aspects that affect the electroconductive properties of this type of molecules. The structural and electronic properties that influence the conductivity of mono substituted-furan-thiophene copolymers were determined theoretically. The effect of using carboxyl, methyl, hydroxyl, cyano, and fluoride groups as substituents on the carbon C3 and C10 of each heterocycle was observed. The energy difference between the LUMO and the HOMO (band gap, Eg) and the ionization potential (IP) were calculated from the geometries optimized in DFT for the neutral, anion and cation state. The PI and Eg of the copolymers were obtained by extrapolating the values of the oligomer a (1/N) and a chain of infinite length (1/N=0) for which a linear correlation was obtained (R=0.99). This correlation is maintained throughout all the adjustment models of each copolymer analyzed in the study.]]></p></abstract>
<abstract abstract-type="short" xml:lang="pt"><p><![CDATA[Resumo Existe muito interesse os termos científicos e tecnológicos em utilizar substituintes mono-substituídos furano e tiofeno como polímeros condutores devido às suas múltiplas aplicações, tais como OLED, amplificadores ópticos e nanotecnologia, entre outros. O objetivo deste trabalho foi estudar os aspectos teóricos que afetam as propriedades eletrocondutoras deste tipo de moléculas. Neste contribuição os aspectos estruturais e electrónicas que influenciam a condutividade de copolímeros furano-tiofeno substituos mono teoricamente determinada observando o efeito do uso de grupos carboxilo, metilo, hidroxilo, ciano e fluoretos como substituintes em C3 e C10 de carbono de cada heterociclo. A diferença de energia entre o LUMO e o HOMO (intervalo de banda, Eg) e o potencial de ionização (IP) foram calculadas a partir das geometrias optimizadas de DFT para o estado neutro, anião e catião. O PI e o Eg dos copolímeros foram obtidos por extrapolação dos valores do oligómero (1/N) e extrapolando para uma cadeia de comprimento infinito (1/ N=0) para os quais uma correlação linear foi obtida (R=0,99), que é mantido ao longo de todos os modelos de ajuste de cada copolímero analisados no estudo.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[oligómeros]]></kwd>
<kwd lng="es"><![CDATA[band gap]]></kwd>
<kwd lng="es"><![CDATA[potencial Je ionización]]></kwd>
<kwd lng="es"><![CDATA[HOMO]]></kwd>
<kwd lng="es"><![CDATA[LUMO]]></kwd>
<kwd lng="en"><![CDATA[oligomers]]></kwd>
<kwd lng="en"><![CDATA[band gap]]></kwd>
<kwd lng="en"><![CDATA[ionization potential]]></kwd>
<kwd lng="en"><![CDATA[HOMO]]></kwd>
<kwd lng="en"><![CDATA[LUMO]]></kwd>
<kwd lng="pt"><![CDATA[oligômeros]]></kwd>
<kwd lng="pt"><![CDATA[band gap]]></kwd>
<kwd lng="pt"><![CDATA[potencial de ionização]]></kwd>
<kwd lng="pt"><![CDATA[HOMO]]></kwd>
<kwd lng="pt"><![CDATA[LUMO]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>[1]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Laco]]></surname>
<given-names><![CDATA[J. I. I]]></given-names>
</name>
<name>
<surname><![CDATA[Liesa]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Armelin]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Casanovas]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Alemán]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Polímeros conductores con aplicaciones biomédicas y biotecnológicas]]></article-title>
<source><![CDATA[Química e industria: QeI]]></source>
<year>2004</year>
<volume>554</volume>
<numero>554</numero>
<issue>554</issue>
<page-range>13-20</page-range></nlm-citation>
</ref>
<ref id="B2">
<label>[2]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ward]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Hadley]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
</person-group>
<source><![CDATA[An Introduction to the Mechanical Properties of Solid Polymers]]></source>
<year>1993</year>
<publisher-loc><![CDATA[Chichester ]]></publisher-loc>
<publisher-name><![CDATA[John Wiley &amp; Sons Ltda]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B3">
<label>[3]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Olishevski]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Kertesz]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Band gap calculations for conjugated polymers]]></article-title>
<source><![CDATA[Synthetic metals]]></source>
<year>2004</year>
<volume>1-2</volume>
<page-range>171-7</page-range></nlm-citation>
</ref>
<ref id="B4">
<label>[4]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Freund]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Deore]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
</person-group>
<source><![CDATA[Self-doped conducting polymer]]></source>
<year>2007</year>
<publisher-loc><![CDATA[Chichester ]]></publisher-loc>
<publisher-name><![CDATA[John Wiley and Sons. Ltd]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B5">
<label>[5]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Salzner]]></surname>
<given-names><![CDATA[U.]]></given-names>
</name>
<name>
<surname><![CDATA[Lagowski]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Pickup]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Poirier]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Design of low band gap polymers employing density functional theory hybrid functionals ameliorate band gap problem]]></article-title>
<source><![CDATA[Journal of computational chemistry]]></source>
<year>1997</year>
<volume>18</volume>
<numero>15</numero>
<issue>15</issue>
<page-range>1943-53</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>[6]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Alguno]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ab initio and density functional studies of polythiophene energy band gap]]></article-title>
<source><![CDATA[NECTEC Technical journal]]></source>
<year>2001</year>
<volume>2</volume>
<numero>9</numero>
<issue>9</issue>
<page-range>215-8</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>[7]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Parr]]></surname>
<given-names><![CDATA[a. R. G.]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[W.]]></given-names>
</name>
<name>
<surname><![CDATA[De Proft]]></surname>
<given-names><![CDATA[R. Vivas-Reyes]]></given-names>
</name>
<name>
<surname><![CDATA[Willem]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[JML]]></surname>
<given-names><![CDATA[Martin]]></given-names>
</name>
<name>
<surname><![CDATA[Geerlings]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<source><![CDATA[Density Functional Theory of Atoms and Molecules]]></source>
<year>1989</year>
<volume>611</volume>
<page-range>333</page-range><publisher-loc><![CDATA[New York ]]></publisher-loc>
<publisher-name><![CDATA[Oxford University Press]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B8">
<label>[8]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Koch]]></surname>
<given-names><![CDATA[a. W.]]></given-names>
</name>
<name>
<surname><![CDATA[Holthausen]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Vivas-Reyes]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Proft]]></surname>
<given-names><![CDATA[F. De]]></given-names>
</name>
<name>
<surname><![CDATA[Biesemans]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Willem]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Geerlings]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<source><![CDATA[A chemist's guide to density functional theory]]></source>
<year>2000</year>
<volume>7</volume>
<page-range>1315-24</page-range><publisher-loc><![CDATA[Willey ]]></publisher-loc>
<publisher-name><![CDATA[Weinheim]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B9">
<label>[9]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Chien]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<source><![CDATA[Polyacetylene: Chemistry, Physics, and Material Science.]]></source>
<year>1984</year>
<publisher-loc><![CDATA[Londres ]]></publisher-loc>
<publisher-name><![CDATA[Academic Press]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B10">
<label>[10]</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Frisch]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
</person-group>
<source><![CDATA[Gaussian 94]]></source>
<year>1995</year>
<publisher-loc><![CDATA[Pittsburgh, PA ]]></publisher-loc>
</nlm-citation>
</ref>
<ref id="B11">
<label>[11]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Becke]]></surname>
<given-names><![CDATA[A. D.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Density-functional thermochemistry. III. The role of exact exchange]]></article-title>
<source><![CDATA[The Journal of chemical physics]]></source>
<year>1993</year>
<volume>98</volume>
<numero>7</numero>
<issue>7</issue>
<page-range>5648-52</page-range></nlm-citation>
</ref>
<ref id="B12">
<label>[12]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hariharan]]></surname>
<given-names><![CDATA[P. C.]]></given-names>
</name>
</person-group>
<source><![CDATA[Structures and stabilities of three-membered rings from ab initio molecular orbital theory]]></source>
<year>1973</year>
<page-range>1-45</page-range><publisher-loc><![CDATA[Berlin ]]></publisher-loc>
<publisher-name><![CDATA[Springer]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B13">
<label>[13]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Gao]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Xia]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhou]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Zhang]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Theoretical studies on the electronic structures and optical properties of the oligomers involving bipyridyl, thiophenyl and ethynyl groups]]></article-title>
<source><![CDATA[Polymer]]></source>
<year>2007</year>
<volume>48</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>502-11</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>[14]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Carey]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
</person-group>
<source><![CDATA[Química orgánica]]></source>
<year>1999</year>
<publisher-loc><![CDATA[Madrid ]]></publisher-loc>
<publisher-name><![CDATA[McGraw Hill]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B15">
<label>[15]</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wade]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
</person-group>
<source><![CDATA[Química orgánica]]></source>
<year>2005</year>
<publisher-loc><![CDATA[México D.F. ]]></publisher-loc>
<publisher-name><![CDATA[Pearson]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B16">
<label>[16]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Vivas-Reyes]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Mercado]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Anaya-Gil]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
<name>
<surname><![CDATA[Marrugo]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Martinez]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Theoretical study to evaluate polyfuran electrical conductivity and methylamine, methoxy substituent effects]]></article-title>
<source><![CDATA[Journal of Molecular Structure: THEOCHEM]]></source>
<year>2008</year>
<volume>861</volume>
<numero>1-3</numero>
<issue>1-3</issue>
<page-range>137-41</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>[17]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Roncali]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Molecular engineering of the band gap of &#960;-conjugated systems: Facing technological applications]]></article-title>
<source><![CDATA[Macromolecular Rapid Communications]]></source>
<year>2007</year>
<volume>28</volume>
<numero>17</numero>
<issue>17</issue>
<page-range>1761-75</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>[18]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Alakhras]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Holze]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Spectroelectrochemistry of intrinsically conducting furan-3-chlorothiophene copolymers]]></article-title>
<source><![CDATA[Journal of Solid State Electrochemistry]]></source>
<year>2008</year>
<volume>12</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>81-94</page-range></nlm-citation>
</ref>
<ref id="B19">
<label>[19]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Alemán]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Armelin]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Iribarren]]></surname>
<given-names><![CDATA[J. I.]]></given-names>
</name>
<name>
<surname><![CDATA[Liesa]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Laso]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Casanovas]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Structural and electronic properties of 3,4-ethylenedioxythiophene, 3, 4-ethylenedisulfanylfurane and thiophene oligomers: A theoretical investigation]]></article-title>
<source><![CDATA[Synthetic Metals]]></source>
<year>2005</year>
<volume>149</volume>
<numero>2-3</numero>
<issue>2-3</issue>
<page-range>151-6</page-range></nlm-citation>
</ref>
<ref id="B20">
<label>[20]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[G. X.]]></given-names>
</name>
<name>
<surname><![CDATA[Fan]]></surname>
<given-names><![CDATA[H. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Niu]]></surname>
<given-names><![CDATA[X.]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[P. P.]]></given-names>
</name>
<name>
<surname><![CDATA[Huang]]></surname>
<given-names><![CDATA[Z. H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Theoretical study on electronic properties of trans-oligomers of thiophenes, siloles and alternate thiophene and siloles. Journal of Molecular Structure: THEOCHEM, 949(1-3), 1-7]]></article-title>
<source><![CDATA[Journal of Molecular Structure: THEOCHEM]]></source>
<year>2010</year>
<volume>949</volume>
<numero>1-3</numero>
<issue>1-3</issue>
<page-range>1-7</page-range></nlm-citation>
</ref>
<ref id="B21">
<label>[21]</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Acharya]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Effect of substituents on charge carrier dynamics in thiophene oligomers]]></article-title>
<source><![CDATA[Journal of Photochemistry and Photobiology A: Chemistry]]></source>
<year>2005</year>
<volume>173</volume>
<numero>2</numero>
<issue>2</issue>
<page-range>161-8</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
