xiii, 324 p. , ill. , 25 cm. + , 1 CD-ROM (4 3/4 in.)
Electronic
Includes bibliographical references and index.
THEORY -- Introduction -- Molecular Modeling Methods in Brief -- Parameterization, Approximations and Limitations of Molecular Mechanics -- Computation -- The Multiple Minima Problem -- Conclusions -- APPLICATIONS -- Structural Aspects -- Stereoselectivities -- Metal Ion Selectivity -- Spectroscopy -- Electron Transfer -- Electronic Effects -- Bioinorganic Chemistry -- Organometallics -- Compounds with s-, p- and f-Block Elements -- PRACTICE OF MOLECULAR MECHANICS -- The Model, the Rules and the Pitfalls -- Tutorial.