Download Essentials of Computational Chemistry: Theories and Models
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Essentials of Computational Chemistry: Theories and Models
Download Essentials of Computational Chemistry: Theories and Models
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From the Back Cover
Essentials of Computational Chemistry, Theories and Models, Second Edition provides an accessible introduction to this fast developing subject. Extensively revised and updated, the Second Edition has been carefully developed to encourage student understanding and to establish seamless connections with the primary literature for the advanced reader. The book opens with a presentation of classical models, before gradually moving on to increasingly more complex quantum mechanical and dynamical theories. Coverage and examples are drawn from inorganic, organic and biological chemistry. evolving topics like density functional theory, continuum solvation models, and computational thermochemistry brought firmly up-to-date carefully guides the reader through key equations, providing background information and placing each in context. numerous examples and applications with selected case studies designed as a basis for classroom discussion. supplementary website with exercises problems and updates: www.pollux.chem.umn.edu/8021/ Invaluable to all students taking a first course in computational chemistry, molecular modelling, computational quantum chemistry or electronic structure theory. This book will also be of interest to postgraduates, researchers and professionals needing an up-to-date, accessible introduction to this subject. Reviews of the First Edition "This is an excellent text for graduates or advanced undergraduates in any field of chemistry……the text provides an excellent introduction to the field for students and researchers in any area of chemistry" Theoretical Chemistry Accounts, 2003 "…..this book has a lot to recommend to undergraduate students as a way of getting them involved in computational chemistry…Professor Cramer has done a superb job and deserves congratulating" The Alchemist, 2003 " ‘Essentials’ is a useful tool not only for teaching and learning but also as a quick reference, and thus will most probably become one of the standard text books for computational chemistry" Journal of Chemical Information and Computer Science, 2003
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About the Author
Christopher Cramer, Professor of Computational Chemistry Department of Chemistry, University of Minnesota,Minneapolis, USA
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Product details
Paperback: 618 pages
Publisher: Wiley; 2 edition (October 29, 2004)
Language: English
ISBN-10: 0470091827
ISBN-13: 978-0470091821
Product Dimensions:
6.6 x 1.5 x 9.6 inches
Shipping Weight: 2.3 pounds (View shipping rates and policies)
Average Customer Review:
4.6 out of 5 stars
16 customer reviews
Amazon Best Sellers Rank:
#345,264 in Books (See Top 100 in Books)
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.
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.
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.
Great Book for the Beginner Computational Chemist! As an experimental Chemist I really appreciated the wordage of this book.
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.
This book covers most important sections of the computational area, and it is good for everyone who want to learn this field.
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