Book 26

An understanding of the energy levels of atoms and molecules is an essential foundation for the study of physical chemistry. This short text provides students at the start of their university chemistry courses with a clear and accessible introduction to electronic structure and quantized mechanics and spectroscopy in second and third year courses.

All students on first courses in spectroscopy will find this readable, lively account to be invaluable aid to their study.

Book 29

Computational Chemistry

by Guy H. Grant and W. G. Richards

Published 31 January 1995
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.