Fragmentation: Toward Accurate Calculations on Complex Molecular Systems

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical
Cover of the book Fragmentation: Toward Accurate Calculations on Complex Molecular Systems by , Wiley
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: ISBN: 9781119129264
Publisher: Wiley Publication: August 4, 2017
Imprint: Wiley Language: English
Author:
ISBN: 9781119129264
Publisher: Wiley
Publication: August 4, 2017
Imprint: Wiley
Language: English

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system.

Topics covered include:

  • Fragmentation methods
  • Embedding methods
  • Explicitly correlated local electron correlation methods
  • Fragment molecular orbital method
  • Methods for treating large molecules

This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system.

Topics covered include:

This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.

More books from Wiley

Cover of the book The Respiratory System at a Glance by
Cover of the book Stargazing For Dummies by
Cover of the book Fractured Identities by
Cover of the book Amphibian Evolution by
Cover of the book Value by Design by
Cover of the book A Practical Guide to Construction Adjudication by
Cover of the book Python for Data Science For Dummies by
Cover of the book CASP CompTIA Advanced Security Practitioner Study Guide by
Cover of the book Pharmaceutical Biotechnology by
Cover of the book Evidence-Based Nursing Care for Stroke and Neurovascular Conditions by
Cover of the book Derivatives Markets and Analysis by
Cover of the book The Physiological Effects of Ageing by
Cover of the book Understanding LTE with MATLAB by
Cover of the book The Coming Bond Market Collapse by
Cover of the book Retired Racing Greyhounds For Dummies by
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy