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Heats of Hydrogenation: Experimental and Computational Hydrogen Thermochemistry of Organic Compounds

  • Hardcover
Heats 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.
Heats of Hydrogenation: Experimental and Computational Hydrogen Thermochemistry of Organic Compounds
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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.
DONALD W. ROGERS, PhD, is Professor Emeritus at Long Island University. For forty years, Professor Rogers has taught academic courses in physical chemistry, thermodynamics, general chemistry, computational chemistry, and microcomputer interfacing. He publishes regularly in the Journal of Physical Chemistry and elsewhere, and his work has been supported for the last decade by the National Science Foundation through the National Center for Supercomputing Applications.
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.
Author
Donald W. Rogers
Short Title
HEATS OF HYDROGENATION
Pages
222
Publisher
World Scientific Publishing Company
Language
English
ISBN-10
9812569545
ISBN-13
9789812569547
Media
Book
Format
Hardcover
Illustrations
Yes
Year
2006
Publication Date
2006-09-30
Imprint
World Scientific Publishing Co Pte Ltd
Subtitle
Experimental and Computational Hydrogen Thermochemistry of Organic Compounds
Place of Publication
Singapore
Country of Publication
Singapore
DEWEY
547.23
Birth
1932
Affiliation
Greenwich Village, NY, USA Long Island Univ., Brooklyn, New York Long
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