Essentials of Computational Chemistry: Theories and Models 2nd Edition

Contains a lot of good information even if not a biological focus, if that's what you're interested in. Most importantly it is written with the intent to teach, in an almost conversational tone. So many texts on computational chemistry and related fields are written from the ivory tower with an explosion of poorly annotated equations and no concern for providing the reader with the tools to generate her own intuition for the material. But not this text. It is lucidly written, as easy to digest as computational chemistry can be, and very much deserves its place on my bookshelf.

I'm a first-year graduate student studying physical chemistry and this book was great for reviewing all your basic computational models and theoretical approaches. It's not as thorough as, say, Boyd or others who take a hard mathematics approach, but it is definitely enough for the average experimentalist who needs a bit more detail about the calculations. Particularly, I liked that Cramer talks about a generalised theory instead of focusing on the Gaussian algorithm and Kohn-Sham theory. I used it to study for my DFT class and it covered just about everything!

I love this book, it really covers a wide range of contents, explained in way that can be understand by people new in the field, but also have contents very specialized. In a short time I have used it a lot and it have helped me to discuss theoretical backgrounds of my thesis. One of the things I like the most is that relates the mathematics to its physical - chemical meaning.

This book covers most important sections of the computational area, and it is good for everyone who want to learn this field.

I am choosing this rating because this is singularly one of the best books that explains the theory behind computation chemistry projects. While it is certainly not light reading, on about the third or fourth pass I have started to actually understand some of the information behind the theories. If you are an undergraduate working on computational projects, I highly recommend you purchase this book and occasional read through it as you go.

This is an excellent book on computational chemistry, i am using it for my class.

Great read for learning about simulation research if you've never read anything else in simulations and have a basic understanding of undergraduate level physics and chemistry.

Easy to understand, presents matter in a clear fashion and it has lots of useful tidbits and tips to understanding and implementing the information for my own work.