Essentials of Computational Chemistry: Theories and Models

by Christopher J. Cramer

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Genres: Chemistry, Science, Textbooks, Computer Science

624 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.