Computational Chemistry Using the PC Third Edition; Contents; Preface to the Third Edition; Preface to the Second Edition; Preface to the First Edition; Chapter 1. Iterative Methods; Chapter 2. Applications of Matrix Algebra; Chapter 3. Curve Fitting; Chapter 4. Molecular Mechanics: Basic Theory; Chapter 5. Molecular Mechanics II: Applications; Chapter 6. Huckel Molecular Orbital Theory I: Eigenvalues; Chapter 7. Huckel Molecular Orbital Theory II: Eigenvectors; Chapter 8. Self-Consistent Fields; Chapter 9. Semiempirical Calculations on Larger Molecules.
This work focuses on the theory and applications of molecular modelling. A mathematical introduction, practice problems in every chapter, laboratory exercises and small research projects provide the student with the tools needed to succeed in computational chemistry.