Essentials of Computational Chemistry
Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
'Genuine' introduction to computational chemistryAccessible to both experimentalists and theoristsGentle approach starting with the classical approach to molecular mechanicsIncludes wide range of examples and applicationsEach chapter concludes with a case studyMaintains a careful balance between the chemistry and the mathematicsThis new edition will be accompanied by a supporting website including colour images