Description

Book Synopsis
Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.

Table of Contents
Chapter 1: Computer-Aided Drug Design 2003-2005; Chapter 2: Modelling Biological Systems; Chapter 3: Polarizabilities, Hyperpolarizabilities and Analogous Magnetic Properties; Chapter 4: Applications of Density Functional Theory to Heterogeneous Catalysis; Chapter 5: Numerical Methods in Chemistry; Chapter 6: Determination of Structure in Electronic Structure Calculations; Chapter 7: Simulation of Liquids; Chapter 8: Combinatorial Enumeration in Chemistry; Chapter 9: Many-Body Perturbation Theory and its Application to the Molecular Structure Problem

Chemical Modelling

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    £279.95

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    A Hardback by Theodore E Simos, Stephen Wilson, Michael Springborg

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      Publisher: Royal Society of Chemistry
      Publication Date: Publication Date: 10/30/2006 12:00:00 AM
      ISBN13: 9780854042432, 978-0854042432
      ISBN10: 0854042431

      Description

      Book Synopsis
      Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.

      Table of Contents
      Chapter 1: Computer-Aided Drug Design 2003-2005; Chapter 2: Modelling Biological Systems; Chapter 3: Polarizabilities, Hyperpolarizabilities and Analogous Magnetic Properties; Chapter 4: Applications of Density Functional Theory to Heterogeneous Catalysis; Chapter 5: Numerical Methods in Chemistry; Chapter 6: Determination of Structure in Electronic Structure Calculations; Chapter 7: Simulation of Liquids; Chapter 8: Combinatorial Enumeration in Chemistry; Chapter 9: Many-Body Perturbation Theory and its Application to the Molecular Structure Problem

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