Description

Book Synopsis
Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

Table of Contents
Preface; Uncovering molecular secrets of ionic liquids; interaction-induced electric properties; Modeling biological cells; Particle based multiscale simulation methods and applications; Size-dependent electronic structure of semiconductor nanoparticles; On choosing the best density functional approximation; Molecular dynamics simulation of ionic liquids adsorbed onto a solid surface and confined in nanospace

Chemical Modelling: Applications and Theory

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    A Hardback by Barbara Kirchner, George Maroulis, Raja Paul

    £999.99

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      Book details

      Publisher Royal Society of Chemistry
      Published 31 October 2012
      ISBN-13 9781849734127
      978-1849734127
      ISBN-10 1849734127

      Description

      Book Synopsis
      Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.

      Table of Contents
      Preface; Uncovering molecular secrets of ionic liquids; interaction-induced electric properties; Modeling biological cells; Particle based multiscale simulation methods and applications; Size-dependent electronic structure of semiconductor nanoparticles; On choosing the best density functional approximation; Molecular dynamics simulation of ionic liquids adsorbed onto a solid surface and confined in nanospace

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