The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.
Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field.
Covering developments in the field since the first publication, this title also includes updated text and new material on:

• Molecular Dynamics

• Dealing with the Solvent

A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.

Chemical Modeling equips the reader with the knowledge to understand the behaviour of solids, gases and liquids in terms of the basic properties of their atoms, molecules, and polymer chains. In particular the interactions between these fundamental building blocks and the intermolecular and intramolecular potentials are examined. Carefully structured, the book starts by the discussion of classical, quantum and statistical mechanics which then leads on to a discussion of modeling techniques applied to solids, gases and liquids. The subject is brought to life through many real life examples and practical illustrations. Features

• Classical mechanics and quantum mechanics are both introduced from a basic level
• Explains the relationships between microscopic and macroscopic quantities
• Gives an up-to-date treatment of a variety of chemical modeling techniques
• Avoids unnecessary mathematical rigour
• Carefully structured into ‘bite-sized’ chapters