Essentials of Computational Chemistry: Theories and Models

by Christopher J. Cramer

Throughout chemistry, computational techniques are becoming increasingly important. Problem solving and modelling is quickly achievable but as the power of computers increases so does the complexity of the tasks and the speed at which they are solved.
A basic understanding of the theory and concepts underpinning computational chemistry is therefore essential to all chemical science students, and Essentials of Computational Theory and Models delivers a thorough insight in a readable and approachable manner.
* Accessible as a text to advanced undergraduate students as well as graduate students
* Emphasises the basic concepts and applications rather than theory and mathematics
* Firmly places the subject in context, including many examples and applications
* Includes coverage and examples from inorganic, organic and biological chemistry and covers quantum mechanical and classical mechanical models
* Includes case histories that serve as an ideal basis for classroom discussion
* Delivers information in a readable and approachable manner

Genres: Chemistry, Science, Computer Science, Nonfiction, Textbooks

562 pages, Paperback

First published April 26, 2002

Reviews

[Emily · Rating 5 out of 5]

I have cited the hell out of this book for my research paper 🙏🙏🙏👩‍❤️‍💋‍👩🥰

[Jeffrey Sung · Rating 3 out of 5]

This book is a wonderful qualitative survey of the computational chemistry landscape. However, it is not quantitative. Recommend as an introduction, or as supplement to a more quantitative book like Jensen's.

[Khashayar Ghazianzad · Rating 2 out of 5]

This book is primarily designed for people with strong background in math and computational physics. The author does not provide detailed explanations of the mathematical operations behind the concepts and jumps from one place to another. As the title of the book states, this book is only highlighting the essentials very succinctly.

[Laniraffe · Rating 3 out of 5]

The only good thing about this book is that Cramer has a good sense of humor.

[Adrienne · Rating 5 out of 5]

This book is highly recommended if you do computational chemistry. My particular field requires a lot of ab initio calculations. It is very dense reading, though.