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  <titleInfo>
    <title>Computational organic chemistry</title>
  </titleInfo>
  <name type="personal">
    <namePart>Bachrach, Steven M.</namePart>
    <namePart type="date">1959-</namePart>
    <role>
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  <genre authority="">Electronic books.</genre>
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    <dateIssued encoding="marc">2014</dateIssued>
    <edition>Second edition.</edition>
    <issuance>monographic</issuance>
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  <abstract>Building upon and updating the successful first edition, the second edition of Computational Organic Chemistry introduces computational modeling methods used as standard tools by organic chemists for searching, rationalizing, and predicting structure and reactivity of organic molecules. New coverage includes: significant problems with standard DFT (density functional theory) methods; ways to address these problems; computational organic spectroscopy; computational tools for understanding enzyme mechanisms; and new interviews. The text is particularly valuable to organic, physical organic, synt.</abstract>
  <note type="statement of responsibility">by Steven M. Bachrach.</note>
  <note>Includes bibliographical references and index.</note>
  <note>Text in English.</note>
  <subject authority="lcsh">
    <topic>Chemistry, Organic</topic>
    <topic>Mathematics</topic>
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  <subject authority="lcsh">
    <topic>Chemistry, Organic</topic>
    <topic>Mathematical models</topic>
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    <topic>SCIENCE</topic>
    <topic>Chemistry</topic>
    <topic>Organic</topic>
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  <subject authority="fast">
    <topic>Chemistry, Organic</topic>
    <topic>Mathematical models</topic>
  </subject>
  <subject authority="fast">
    <topic>Chemistry, Organic</topic>
    <topic>Mathematics</topic>
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      <edition>Second edition.</edition>
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  <identifier type="uri">http://onlinelibrary.wiley.com/book/10.1002/9781118671191</identifier>
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