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Modeling of chemical reactions

Record Type:	Electronic resources : Monograph/item
Title/Author:	Modeling of chemical reactionsRobert W. Carr, [volume editor].
other author:	Carr, Robert W.,
Published:	Amsterdam ;Elsevier,2007.
Description:	1 online resource (xvii, 297 p.) :ill. (some col.)
Subject:	Chemical kineticsMathematical models.
Online resource:	http://www.sciencedirect.com/science/book/9780444513663
ISBN:	9780444513663

Modeling of chemical reactions
Modeling of chemical reactions[electronic resource] /Robert W. Carr, [volume editor]. - 1st ed. - Amsterdam ;Elsevier,2007. - 1 online resource (xvii, 297 p.) :ill. (some col.) - Comprehensive chemical kinetics ;v. 42. - Comprehensive chemical kinetics ;v. 42..

Includes bibliographical references and index.

Draft Table of Contents -- 1. Thermochemistry (K. Irikura). -- 2. Introduction to chemical kinetics (R.W. Carr). -- 3. Bimolecular reactions (D.G. Truhlar). -- 4. Unimolecular reactions (A.M. Dean). -- 5. Aerosols and nanoparticles (M. Zachariah). -- 6. Group additivity methods (J.W. Bozzelli). -- 7. Quantum chemistry methods (C.F. Melius). -- 8. Reaction mechanisms (W. Tsang). -- 9. Model development (M.T. Swihart). -- 10. Model optimization (M. Frenklach).

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. * A solid introduction to kinetics * Material on computational quantum chemistry, an important new area for kinetics * Contains a chapter on construction of mechanisms, an approach only found in this book.

ISBN: 9780444513663

Source: 97318:97318Elsevier Science & Technologyhttp://www.sciencedirect.comSubjects--Topical Terms:

247596
Chemical kinetics
--Mathematical models.Index Terms--Genre/Form:

214472
Electronic books.

LC Class. No.: QD501 / .B242 v. 42eb

Dewey Class. No.: 541.394015118

Modeling of chemical reactions
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520 $a Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. * A solid introduction to kinetics * Material on computational quantum chemistry, an important new area for kinetics * Contains a chapter on construction of mechanisms, an approach only found in this book.
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