Heats of Hydrogenation: Experimental and Computational Hydrogen Thermochemistry of Organic Compounds
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BeschreibungHeats of hydrogenation constitute a body of thermochemical information that has had a historical significance despite the small number of research groups engaged in this work. Recent highly accurate quantum mechanical calculations requiring reference standards of high accuracy have brought hydrogen thermochemistry back into contemporary focus. This book focuses 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 organic compounds.
InhaltsverzeichnisHydrogen 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.
Untertitel: Sprache: Englisch.
Verlag: WORLD SCIENTIFIC PUB CO INC
Erscheinungsdatum: September 2006
Seitenanzahl: 222 Seiten