Essentials of Computational Chemistry: Theories and Models

ابن العراق

مشرف قسم الهندسة الكيميائية و الكيمياء العامة
طاقم الإدارة
Essentials of Computational Chemistry: Theories and Models
by Christopher J. Cramer
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Editorial Reviews

Review
"...This book does the job better than any other 'chemistry for the future' book I have read..." (Chemistry Industry, 1 July 2002)

"...this is a first rate book...I am happy to recommend it... (Chemistry in Britain, July 2002)
"...an excellent example of how mainstream computational chemistry models can be introduced to the novice..." (Perkin Transactions)
"...an excellent introduction to the field...this is a fine and practical book..." (Theoretical Chemistry Accounts, December 2002)
"...an excellent textbook, ideally suited for bridging the gap between introductory quantum mechanics and specialist theoretical chemistry textbooks...this book will become a bestseller in the field." (Angewandte Chemie International Edition, Vol. 42, No. 4, 2003)


"...I think this book has a lot to recommend to undergraduate students .... Professor Cramer has done a superb job and deserves congratulating." (The Alchemist, 13 May 2003)
"...accessible and easy to read...well-written and the presentation is good..." (Euro Jnl of Chemical Phys and Physical Chem. Vol.110, No.4, 2003)



Review
"...This book does the job better than any other 'chemistry for the future' book I have read..." (Chemistry Industry, 1 July 2002)

"...this is a first rate book...I am happy to recommend it... (Chemistry in Britain, July 2002)
"...an excellent example of how mainstream computational chemistry models can be introduced to the novice..." (Perkin Transactions)
"...an excellent introduction to the field...this is a fine and practical book..." (Theoretical Chemistry Accounts, December 2002)


"...I think this book has a lot to recommend to undergraduate students .... Professor Cramer has done a superb job and deserves congratulating." (The Alchemist, 13 May 2003)
"...accessible and easy to read...well-written and the presentation is good..." (Euro Jnl of Chemical Phys and Physical Chem. Vol.110, No.4, 2003)



Product Details

Paperback: 562 pages
Publisher: John Wiley & Sons
(April 27, 2002)
Language: English
ISBN-10: 0471485527
ISBN-13: 978-0471485520
Product Dimensions: 9.5 x 6.7 x 1.2 inches
Shipping Weight: 2.1 pounds



Essentials of Computational Chemistry: Theories and Models
(Paperback)
by Christopher J. Cramer

51X92TNQA4L.jpg

Editorial Reviews

Book Description
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.

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
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




Product Details

Paperback: 618 pages
Publisher: Wiley; 2 edition
(November 15, 2004)
Language: English
ISBN-10: 0470091827
ISBN-13: 978-0470091821
Product Dimensions: 9.4 x 6.6 x 1.4 inches
Shipping Weight: 2.6 pounds

[[/]​
 
Essentials of Computational Chemistry: Theories and Models 1&2

بسم الله الرحمن الرحيم​

Essentials of Computational Chemistry: Theories and Models

51EZRZCZ1VL.jpg

Product Details
  • Paperback: 562 pages​
  • Publisher: John Wiley & Sons (April 27, 2002)​
  • Language: English​
  • ISBN-10: 0471485527​
  • ISBN-13: 978-0471485520​
  • Product Dimensions: 9.5 x 6.7 x 1.2 inches​
  • Shipping Weight: 2.1 pounds​
Book Description:​

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 Chemistry: Theory and Models delivers a thorough insight in a readable and approachable manner.
  • Accessible as a text to advanced undergraduate students as well as graduatestudents
  • 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
Essentials of Computational Chemistry: Theories and Models 2nd Edition




51X92TNQA4L.jpg




Product Details

  • Paperback: 618 pages​
  • Publisher: Wiley; 2 edition (November 15, 2004)​
  • Language: English​
  • ISBN-10: 0470091827​
  • ISBN-13: 978-0470091821​
  • Product Dimensions: 9.4 x 6.6 x 1.4 inches​
Book Description:​


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​



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