<?xml version="1.0" encoding="UTF-8"?>
<mods xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.loc.gov/mods/v3" version="3.1" xsi:schemaLocation="http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-1.xsd">
  <titleInfo>
    <title>Discovering chemistry with natural bond orbitals</title>
  </titleInfo>
  <name type="personal">
    <namePart>Weinhold, Frank</namePart>
    <namePart type="date">1941-</namePart>
    <role>
      <roleTerm authority="marcrelator" type="text">creator</roleTerm>
    </role>
  </name>
  <name type="personal">
    <namePart>Landis, Clark R.</namePart>
    <namePart type="date">1956-</namePart>
  </name>
  <name type="corporate">
    <namePart>ebrary, Inc</namePart>
  </name>
  <typeOfResource>text</typeOfResource>
  <genre authority="local">Electronic books.</genre>
  <originInfo>
    <place>
      <placeTerm type="code" authority="marccountry">nju</placeTerm>
    </place>
    <place>
      <placeTerm type="text">Hoboken, N.J</placeTerm>
    </place>
    <publisher>Wiley</publisher>
    <dateIssued>2012</dateIssued>
    <issuance>monographic</issuance>
  </originInfo>
  <language>
    <languageTerm authority="iso639-2b" type="code">eng</languageTerm>
  </language>
  <physicalDescription>
    <form authority="marcform">electronic</form>
    <form authority="gmd">electronic resource</form>
    <extent>xii, 319 p., [16] p. of plates : ill. (some col.)</extent>
  </physicalDescription>
  <abstract>"This book is about chemical bonds, their intrinsic energies and the corresponding dissociation energies which are relevant in reactivity problems; it is the first book to detail relatively uncomplicated but physically meaningful approaches to molecular properties, an area important to help understand chemical principles and predict chemical properties. The primary goal of this book is to enable students to gain proficiency in using the NBO program to re-express complex many-electron wavefunctions in terms of intuitive chemical concepts and orbital imagery, with minimal distractions from underlying mathematical or programming details"--</abstract>
  <tableOfContents>1. Getting started -- 2. Electrons in atoms -- 3. Atoms in molecules -- 4. Hybrids and bonds in molecules -- 5. Resonance delocalization corrections -- 6. Steric and electrostatic effects -- 7. Nuclear and electronic spin effects -- 8. Coordination and hyperbonding -- 9. Intermolecular interactions -- 10. Transition state species and chemical reactions -- 11. Excited state chemistry.</tableOfContents>
  <note type="statement of responsibility">Frank Weinhold, Clark R. Landis.</note>
  <note>Includes index.</note>
  <note>Electronic reproduction. Palo Alto, Calif. : ebrary, 2011. Available via World Wide Web. Access may be limited to ebrary affiliated libraries.</note>
  <subject authority="lcsh">
    <topic>Chemical bonds</topic>
  </subject>
  <subject authority="lcsh">
    <topic>Molecular orbitals</topic>
  </subject>
  <classification authority="lcc">QD461 .W45 2012eb</classification>
  <classification authority="ddc" edition="23">541/.28</classification>
  <identifier type="isbn" invalid="yes"/>
  <identifier type="isbn" invalid="yes"/>
  <identifier type="lccn" invalid="yes"/>
  <identifier type="uri">http://site.ebrary.com/lib/rucke/Doc?id=10575517</identifier>
  <location>
    <url>http://site.ebrary.com/lib/rucke/Doc?id=10575517</url>
  </location>
  <recordInfo>
    <recordContentSource authority="marcorg">CaPaEBR</recordContentSource>
    <recordCreationDate encoding="marc">111220</recordCreationDate>
    <recordIdentifier source="CaPaEBR">ebr10575517</recordIdentifier>
  </recordInfo>
</mods>
