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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Order before 4pm today for delivery by Tue 23 Dec 2025.

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

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    Publisher: Royal Society of Chemistry
    Publication Date: 10/30/2006 12:00:00 AM
    ISBN13: 9780854042432, 978-0854042432
    ISBN10: 0854042431
    Also in:
    Chemistry Quantum and theoretical chemistry

    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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