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Molecular Physical Chemistry

A Computer-based Approach using Mathematica® and Gaussian

Authors: Teixeira-Dias, José J. C.

  • Creates an active learning environment, using computer-based problem solving, illustrated with a wealth of examples and exercises
  • Explains basic and advanced concepts in thermodynamics, chemical kinetics, quantum mechanics, molecular structure, symmetry and crystals
  • Includes an introduction to quantum chemical calculations: methodology and basis sets
  • Offers students an essential guide to physical chemistry and prepares them for pursuing their own research projects
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書籍の購入

イーブック 71,39 €
価格の適用国: Japan (小計)
  • ISBN 978-3-319-41093-7
  • ウォーターマーク付、 DRMフリー
  • ファイル形式: PDF, EPUB
  • どの電子書籍リーダーからでもすぐにお読みいただけます。
  • ご購入後、すぐにダウンロードしていただけます。
ハードカバー 84,99 €
価格の適用国: Japan (小計)
  • ISBN 978-3-319-41092-0
  • 個人のお客様には、世界中どこでも配送料無料でお届けします。
  • Usually dispatched within 3 to 5 business days.
この教本について

This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases.
Instead of a traditional textbook top-down approach, this book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica®), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica® codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects further down the road.
Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences. Other computer applications can alternatively be used. For every chapter learning goals are clearly listed in the beginning, so that readers can easily spot the highlights, and a glossary in the end of the chapter offers a quick look-up of important terms.

著者について

José J. C. Teixeira Dias is retired Professor of Physical Chemistry from the University of Aveiro, Portugal. He obtained his PhD from the University of Sussex, Brighton, UK, in 1970 under the supervision of Professor John Murrell and Professor Harold Kroto. From 1980 to 1995 he was Professor of Chemistry at the University of Coimbra before moving to the University of Aveiro. In 1991 Prof. Dias became Fellow of the Royal Society of Chemistry with the Chartered Chemist (CChem) distinction.
Prof. Dias has authored four university student textbooks in Portuguese on Quantum Chemistry, Molecular Spectroscopy, Pascal Programming and Applications, and an Introduction to Physical Chemistry. With this current textbook on Molecular Physical Chemistry he is addressing an international readership, providing a great resource for an active learning environment.

Table of contents (7 chapters)

  • Thermodynamics

    Teixeira-Dias, José J. C.

    Pages 1-82

    Preview Buy Chapter 26,95 €
  • Chemical Kinetics

    Teixeira-Dias, José J. C.

    Pages 83-111

    Preview Buy Chapter 26,95 €
  • The Schrödinger Equation

    Teixeira-Dias, José J. C.

    Pages 113-205

    Preview Buy Chapter 26,95 €
  • Molecular Symmetry

    Teixeira-Dias, José J. C.

    Pages 207-241

    Preview Buy Chapter 26,95 €
  • Molecular Structure

    Teixeira-Dias, José J. C.

    Pages 243-285

    Preview Buy Chapter 26,95 €

書籍の購入

イーブック 71,39 €
価格の適用国: Japan (小計)
  • ISBN 978-3-319-41093-7
  • ウォーターマーク付、 DRMフリー
  • ファイル形式: PDF, EPUB
  • どの電子書籍リーダーからでもすぐにお読みいただけます。
  • ご購入後、すぐにダウンロードしていただけます。
ハードカバー 84,99 €
価格の適用国: Japan (小計)
  • ISBN 978-3-319-41092-0
  • 個人のお客様には、世界中どこでも配送料無料でお届けします。
  • Usually dispatched within 3 to 5 business days.
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書誌情報

Bibliographic Information
Book Title
Molecular Physical Chemistry
Book Subtitle
A Computer-based Approach using Mathematica® and Gaussian
Authors
Copyright
2017
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing Switzerland
イーブック ISBN
978-3-319-41093-7
DOI
10.1007/978-3-319-41093-7
ハードカバー ISBN
978-3-319-41092-0
Edition Number
1
Number of Pages
XVI, 457
Number of Illustrations and Tables
253 b/w illustrations, 17 illustrations in colour
Topics