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
Front matter; Preface; Contents; Simulation of the liquid state; Enumeration in chemistry; Density functional theory; Numerical methods for the solution of 1D, 2D and 3D differential equations arising in chemical problems; Computer-aided drug design 2000-2001; Electric multipoles, polarizabilities, hyperpolarizabilities and analogous magnetic properties; Many-body perturbation theory and its application to the molecular electronic structure problem; Quantum topological atoms

Chemical Modelling

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    £279.95

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    Order before 4pm today for delivery by Tue 4 Aug 2026.

    A Hardback by D M Heyes, Theodore E Simos, Stephen Wilson

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      Publisher: Royal Society of Chemistry
      Publication Date: Publication Date: 5/10/2002 12:00:00 AM
      ISBN13: 9780854042593, 978-0854042593
      ISBN10: 0854042598

      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
      Front matter; Preface; Contents; Simulation of the liquid state; Enumeration in chemistry; Density functional theory; Numerical methods for the solution of 1D, 2D and 3D differential equations arising in chemical problems; Computer-aided drug design 2000-2001; Electric multipoles, polarizabilities, hyperpolarizabilities and analogous magnetic properties; Many-body perturbation theory and its application to the molecular electronic structure problem; Quantum topological atoms

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