Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

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9780471333685: Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems
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A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems.

  • Provides nonmathematical explanations of advanced topics incomputational chemistry.
  • Focuses on when and how to apply different computationaltechniques.
  • Addresses computational chemistry connections to biochemicalsystems and polymers.
  • Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques.
  • Describes how the choice of methods of software affectsrequirements for computer memory and processing time.

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From the Back Cover:

A complete bench-top guide to basic and advanced techniques used tosolve real world research problems

Thanks to the proliferation of inexpensive, easy-to-usecomputational chemistry programs, the average laboratory chemistnow has access to powerful tools once reserved solely for highlytrained specialists. Computational Chemistry was designedspecifically to enable chemists to add computational chemistrytechniques to their working arsenal.

This book supplies the expert advice and guidance needed toconfidently choose and successfully apply the correct computationalchemistry techniques to an array of real world scientific problems.Computational chemist David Young provides clear-cut descriptionsand step-by-step instructions for solving technical problems. Heexplores basic techniques in the field with a focus on theirrelative strengths and limitations. In addition, Young treats arange of advanced techniques from an easy-to-understand,nonmathematical standpoint, including transition structures,reaction coordinates, reaction rates, convergence problems, QM/MM,solvation, nonlinear optical properties, relativistic effects,mesoscale methods, and more.

Computational Chemistry features:
* Prioritized lists of methods for attacking difficultcomputational chemistry problems
* Brief critical reviews of most commercially available softwarepackages, assessing each for its overall effectiveness andpractical utility
* A review of the material from the perspective of various chemicalsystems (such as organic molecules, inorganics, biomolecules,polymers, liquids, or solids)

About the Author:

DAVID YOUNG, PhD, is a scientist with Cytoclonal Pharmaceutics in Dallas, Texas. Prior to joining the team at Cytoclonal, Dr. Young worked as a super-computer analyst for Nichols Research Corporation and Computer Sciences Corporation, and as an affiliate professor of chemistry at Auburn University.

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9780470880081: Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

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Book Description John Wiley & Sons Inc, United States, 2001. Hardback. Condition: New. 1. Auflage. Language: English. Brand new Book. A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems.* Provides nonmathematical explanations of advanced topics in computational chemistry.* Focuses on when and how to apply different computational techniques.* Addresses computational chemistry connections to biochemical systems and polymers.* Provides a prioritized list of methods for attacking difficult computational chemistry problems, and compares advantages and disadvantages of various approximation techniques.* Describes how the choice of methods of software affects requirements for computer memory and processing time. Seller Inventory # AAH9780471333685

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Book Description John Wiley & Sons Inc, United States, 2001. Hardback. Condition: New. 1. Auflage. Language: English. Brand new Book. A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics in computational chemistry.Focuses on when and how to apply different computational techniques.Addresses computational chemistry connections to biochemical systems and polymers.Provides a prioritized list of methods for attacking difficult computational chemistry problems, and compares advantages and disadvantages of various approximation techniques.Describes how the choice of methods of software affects requirements for computer memory and processing time. Seller Inventory # AAH9780471333685

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