Computational Chemistry and Molecular Modeling: Principles and Applications

The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It is the first textbook to provide in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http: //www.amrita.edu/cen/ccmm) support the students and lecturers.