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The Basics of Theoretical and Computational Chemistry [Hardcover]

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Item description for The Basics of Theoretical and Computational Chemistry by Bernd M. Rode, Thomas S. Hofer, Michael D. Kugler, Mark W. Chase, Mike Vosburg, Marino Sinibaldi, Marcus Romer, Erika Sausverde & Szaulius Ambrazas...

This textbook does away with the classic, unimaginative approach and comes straight to the point with a bare minimum of mathematics---emphasizing the understanding of concepts rather than presenting endless strings of formulae. It nonetheless covers all important aspects of computational chemistry, such as
  • vector space theory
  • quantum mechanics
  • approximation methods
  • theoretical models
  • and computational methods

Throughout the chapters, mathematics are differentiated by necessity for understanding - fundamental formulae, and all the others. All formulae are explained step by step without omission, but the non-vital ones are marked and can be skipped by those who do not relish complex mathematics.

The reader will find the text a lucid and innovative introduction to theoretical and computational chemistry, with food for thought given at the end of each chapter in the shape of several questions that help develop understanding of the concepts.

What the reader will not find in this book are condescending sentences such as, 'From (formula A) and (formula M) it is obvious that (formula Z).'

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Item Specifications...

Pages   183
Est. Packaging Dimensions:   Length: 0.5" Width: 7" Height: 9.5"
Weight:   1.2 lbs.
Binding  Hardcover
Release Date   Mar 26, 2007
Publisher   Wiley-VCH
ISBN  3527317732  
ISBN13  9783527317738  

Availability  0 units.

More About Bernd M. Rode, Thomas S. Hofer, Michael D. Kugler, Mark W. Chase, Mike Vosburg, Marino Sinibaldi, Marcus Romer, Erika Sausverde & Szaulius Ambrazas

Register your artisan biography and upload your photo! Bernd Michael Rode is professor of theoretical and inorganic chemistry at the University of Innsbruck, Austria. He has taught theoretical chemistry at numerous universities in Asia, where he has also built up new computational chemistry institutions. He has authored nearly 400 scientific publications and obtained numerous honours and awards, among them three honorary doctoral degrees. His present research is focused on theory of liquids and solutions, but he also maintains an experimental group studying chemical evolution towards the origin of life.

Thomas S. Hofer has graduated from a college of technology and obtained his M.Sc. degree in chemistry at the University of Innsbruck. Since 2005, he has been working as assistant professor in theoretical chemistry at the University of Innsbruck and will obtain his Ph.D. degree in this field in 2006. He has published 16 scientific articles, including two review articles. He has been awarded the Austrian nation-wide prize for outstanding studies.

Michael Kugler obtained his secondary education in Tyrol and Upper Austria and is at present a graduate student of physics and chemistry at the University of Innsbruck.

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Product Categories

1Books > Subjects > Medicine > Specialties > Pathology > Clinical Chemistry
2Books > Subjects > Professional & Technical > Medical > Medicine > Internal Medicine > Pathology > Clinical Chemistry
3Books > Subjects > Professional & Technical > Professional Science > Chemistry > Physical & Theoretical
4Books > Subjects > Science > Chemistry > General & Reference
5Books > Subjects > Science > General
6Books > Subjects > Science > Physics

Reviews - What do customers think about The Basics of Theoretical and Computational Chemistry?

Too many fundamental errors to be worth considering.  Jun 21, 2007
While the stated goal of a treatment of theoretical and computational chemistry without irrelevant mathematical details is admirable, this book falls far short of its ambitious goals.

The thinness of the book, rather than evidence of concise exposition, leaves much to be desired in its selection of what mathematical details are omitted and what is left in. It is far too simplistic to the point of misleading, Even many of the pictures, while certainly colorful, are often banal and unproductive (Figure 4.1 is a prime example of a complete waste of ink).

The book is unfortunately also rife with glaring mistakes. One particular egregious example is the use of the term 'molecular dynamics' wherever 'molecular mechanics' is meant, resulting in incorrect conflation of these concepts. Poor notation which fails to distinguish between states as kets vs. their position-space representations gets the authors into trouble, especially when writing expressions involving gradients, or worse, using kets in their exposition of molecular mechanics! Another fundamental error is the explicit use of a time operator when discussing energy-time uncertainty, which is wrong since energy-time uncertainty does *not* follow from the usual operator commutator relationships such as the one used to demonstrate position-momentum uncertainty (as explained in A. Peres's book and many others).

In conclusion, save your money and get another book. It is too full of errors, frivolous details and misleading 'derivations' to be worth serious attention.

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