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Computational Chemistry Workbook: Learning Through Examples
John Wiley and Sons Ltd, Sep 2009, Pages: 250
The book is addressed to later undergraduate, graduate, later Bachelor and Masters students taking a physical chemistry, a computational chemistry or a theoretical chemistry course and university teachers designing teaching labs at these courses. The students are guided through 11 selected topics of computational chemistry with a theoretical introduction, a guided demonstration example, several hands-on tasks and discussions. With the book, a CD is distributed, which contains example software enabling the reader to perform the hand-on tasks. The book is, however, written in a general way, so various other computer programs can also be used at convenience of the reader.
Fills a gap for students of computational and theoretical chemistry by approaching the theories from a practical perspective, this textbook contains 11 different examples transforming the theories into applications invarious fields of chemistry. Includes a Live-CD with a bootable Linux system and all the necessary programs, while not being restricted to a particular computer code.
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