New Book ‘The Basics of Theoretical and Computational Chemistry’ Covers All Important Aspects of Computational Chemistry
DUBLIN, Ireland–(BUSINESS WIRE)–Research and Markets (http://www.researchandmarkets.com/reports/c49584) has announced the addition of ‘The Basics of Theoretical and Computational Chemistry’ to their offering.
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
- Computational methods
Throughout the chapters, mathematics are differentiated by necessity for understanding – fundamental formulae, and all the others. The former are explained step by step without omission, while the latter are given in the appendix for those readers who wish to delve into more 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).
Author information
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.
Content Outline:
INTRODUCTION
BASIC CONCEPTS OF VECTOR SPACE THEORY OF MATTER
CONCEQUENCES OF QUANTUM MECHANICS
CHEMISTRY AND QUANTUM MECHANICS
APPROXIMATION FOR MANY-ELECTRON SYSTEMS
PERTURBATION THEORY IN QUANTUM CHEMISTRY
GROUP THEORY IN THEORETICAL CHEMISTRY
METHODS IN COMPUTATIONAL QUANTUM CHEMISTRY
FORCE FIELD METHODS AND MOLECULAR MODELLING
STATISTICAL SIMULATIONS: MONTE CARLO AND MOLECULAR DYNAMICS METHODS
For more information visit http://www.researchandmarkets.com/reports/c49584
