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    HEATS OF HYDROGENATION
    Experimental and Computational Hydrogen Thermochemistry of Organic Compounds

    by Donald W Rogers (Long Island University, USA)

    Table of Contents (80k)
    Preface (73k)
    Chapter 1: Hydrogen Thermochemistry (225k)

    Heats of hydrogenation constitute a body of thermochemical information that has had an on-going significance despite the small number of research groups engaged in the work. Recent highly accurate quantum mechanical calculations requiring reference standards of high accuracy have brought hydrogen thermochemistry back into contemporary focus.

    This book concentrates on distinctive features of hydrogen thermochemistry such as the practical and historical aspects of experimental determination of the enthalpies of hydrogenation and formation of organic compounds, primarily hydrocarbons, literature on hydrogen thermochemistry over the last 70 years, as well as the impact of contemporary advances in computer hardware and software on the calculation of heats of hydrogenation.

     
    Contents:
    • Hydrogen Thermochemistry:
      • Definition
      • History
      • Theory and Methodology
      • Accuracy
      • Applications
      • Details of Calorimeter Construction
      • Design Modifications
    • Experimental Results:
      • Enthalpies of Hydrogenation
    • Computational Thermochemistry:
      • Introduction to Computational Thermochemistry
      • Molecular Modeling
      • Additivity Methods
      • Molecular Mechanics
      • Molecular Orbital Calculations
      • Semiempirical Methods
      • Ab Initio Methods
     
    Readership: Graduate researchers; physical chemists, chemical engineers, industrial chemists, biochemists, biophysicists, materials scientists, nutritionists, pharmaceutical scientists.
     
     
    232pp    Pub. date: Sep 2006  
    ISBN:   978-981-256-954-7
    981-256-954-5
       US$93 / £61

     


    232pp    Pub. date: Sep 2006  
    ISBN:   978-981-277-290-9(ebook)
    981-277-290-1(ebook)
       US$121

     


     

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    Updated on 13 February 2012