Includes bibliographical references (pages 333-338) and index
Iterative Methods. -- Applications of Matrix Algebra. -- Curve Fitting. -- Molecular Mechanics: Basic Theory. -- Molecular Mechanics II: Applications. -- Huckel Molecular Orbital Theory I: Eigenvalues. -- Huckel Molecular Orbital Theory II: Eigenvectors. -- SCF. -- Semiempirical Calculations on Larger Molecules. -- Ab Initio Molecular Orbital Calculations
0
Donald Rogers focuses on the theory & applications of molecular modeling. A mathematical introduction, practice problems in every chapter, laboratory exercises, & small research projects provide the student with the tools needed to succeed in computational chemistry