Items related to Computational Chemistry (Oxford Chemistry Primers)
The application of computing technology to chemical research ranges from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This primer provides an introduction to the many methods currently used by practising computational chemists and shows the value of computers in modern chemical research. The authors describe the various computational techniques available and explain how they can be applied to single molecules, to assemblies of molecules, and to molecules undergoing reaction. An introductory chapter outlines the hardware and software available, and looks at applications and developments. Subsequent chapters cover quantum mechanics, molecular mechanics, statistical mechanics, the modelling of biomolecules, and drug design. Whilst emphasizing the use of computers to model biological systems, the authors explain how the methods can be applied to a whole range of chemical problems.
"synopsis" may belong to another edition of this title.
Review:
This is a very readable account of a subject which attempts to predict molecular structure, properties and reactivity using computational methods alone. (Aslib Book Guide, Vol. 60, No. 8, August 1995)
Synopsis:
The application of computing technology to chemical research ranges from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This primer provides an introduction to the many methods currently used by practising computational chemists and shows the value of computers in modern chemical research.
"About this title" may belong to another edition of this title.
- PublisherOxford University Press
- Publication date1995
- ISBN 10 0198557418
- ISBN 13 9780198557418
- BindingHardcover
- Number of pages98
- Rating
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