<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE article PUBLIC "-//TaxonX//DTD Taxonomic Treatment Publishing DTD v0 20100105//EN" "../../nlm/tax-treatment-NS0.dtd">
<article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:tp="http://www.plazi.org/taxpub" article-type="research-article" dtd-version="3.0" xml:lang="en">
  <front>
    <journal-meta>
      <journal-id journal-id-type="publisher-id">109</journal-id>
      <journal-id journal-id-type="index">urn:lsid:arphahub.com:pub:3dc5f44e-8666-58db-bc76-a455210e8891</journal-id>
      <journal-title-group>
        <journal-title xml:lang="en">JUCS - Journal of Universal Computer Science</journal-title>
        <abbrev-journal-title xml:lang="en">jucs</abbrev-journal-title>
      </journal-title-group>
      <issn pub-type="ppub">0948-695X</issn>
      <issn pub-type="epub">0948-6968</issn>
      <publisher>
        <publisher-name>Journal of Universal Computer Science</publisher-name>
      </publisher>
    </journal-meta>
    <article-meta>
      <article-id pub-id-type="doi">10.3217/jucs-006-03-0345</article-id>
      <article-id pub-id-type="publisher-id">27663</article-id>
      <article-categories>
        <subj-group subj-group-type="heading">
          <subject>Research Article</subject>
        </subj-group>
        <subj-group subj-group-type="scientific_subject">
          <subject>J.0 - GENERAL</subject>
        </subj-group>
      </article-categories>
      <title-group>
        <article-title>Integrated Applications of Electronic Structure Computations in the Undergraduate Chemistry Curriculum</article-title>
      </title-group>
      <contrib-group content-type="authors">
        <contrib contrib-type="author" corresp="yes">
          <name name-style="western">
            <surname>Hessley</surname>
            <given-names>Rita K.</given-names>
          </name>
          <email xlink:type="simple">rita.hessley@uc.edu</email>
          <xref ref-type="aff" rid="A1">1</xref>
        </contrib>
        <contrib contrib-type="author" corresp="no">
          <name name-style="western">
            <surname>Jr.</surname>
            <given-names>Daniel L. Morris</given-names>
          </name>
          <xref ref-type="aff" rid="A2">2</xref>
        </contrib>
        <contrib contrib-type="author" corresp="no">
          <name name-style="western">
            <surname>Mueller</surname>
            <given-names>Michael R. R.</given-names>
          </name>
          <xref ref-type="aff" rid="A2">2</xref>
        </contrib>
      </contrib-group>
      <aff id="A1">
        <label>1</label>
        <addr-line content-type="verbatim">The University of Cincinnati, Cincinnati, OH, United States of America</addr-line>
        <institution>The University of Cincinnati</institution>
        <addr-line content-type="city">Cincinnati, OH</addr-line>
        <country>United States of America</country>
      </aff>
      <aff id="A2">
        <label>2</label>
        <addr-line content-type="verbatim">Rose-Hulman Institute of Technology, Terre Haute, IN, United States of America</addr-line>
        <institution>Rose-Hulman Institute of Technology</institution>
        <addr-line content-type="city">Terre Haute, IN</addr-line>
        <country>United States of America</country>
      </aff>
      <author-notes>
        <fn fn-type="corresp">
          <p>Corresponding author: Rita K. Hessley (<email xlink:type="simple">rita.hessley@uc.edu</email>).</p>
        </fn>
        <fn fn-type="edited-by">
          <p>Academic editor: </p>
        </fn>
      </author-notes>
      <pub-date pub-type="collection">
        <year>2000</year>
      </pub-date>
      <pub-date pub-type="epub">
        <day>28</day>
        <month>03</month>
        <year>2000</year>
      </pub-date>
      <volume>6</volume>
      <issue>3</issue>
      <fpage>345</fpage>
      <lpage>355</lpage>
      <uri content-type="arpha" xlink:href="http://openbiodiv.net/EF550478-2184-5178-A3D3-DE3B7DAAB5B4">EF550478-2184-5178-A3D3-DE3B7DAAB5B4</uri>
      <uri content-type="zenodo_dep_id" xlink:href="https://zenodo.org/record/6995811">6995811</uri>
      <permissions>
        <copyright-statement>Rita K. Hessley, Daniel L. Morris Jr., Michael R. R. Mueller</copyright-statement>
        <license license-type="creative-commons-attribution" xlink:href="" xlink:type="simple">
          <license-p>This article is freely available under the J.UCS Open Content License.</license-p>
        </license>
      </permissions>
      <abstract>
        <label>Abstract</label>
        <p>This paper describes the integrated use of electronic structure computations in the undergraduate chemistry curriculum including organic, physical, and analytical chemistry courses. This computational tool is used to enhance student learning and understanding of chemical principles along with exposing students to a modern research tool in chemistry. The electronic structure computations are used for homework, classroom activities (including examinations), and laboratory experiments (both computational and wet-lab). Some examples of these uses of electronic structure computations in organic, analytical, and physical chemistry courses are discussed.</p>
      </abstract>
    </article-meta>
  </front>
</article>
