Reviews in Computational Chemistry, Volume 8

ISBN-13: 9780471186380 / Angielski / Twarda / 1996 / 346 str.

Lipkowitz; Donald B. Boyd; K. B. Lipowitz

Opis

• Not only a major reference work for sale to the library market, this series is now receiving an increase in purchases by individuals. This increase is due to the explosive growth in the use of computational chemistry throughout many scientific disciplines
• As each volume does not follow a singular theme, the table of contents is a vital tool in the defining the areas examined by a volume
• The series contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers, and other information that every chemist will find useful
• Detailed author and subject indices on each volume help the reader to quickly discover particular topics
• Uniting the most respected authors in their fields, the series is designed to help the reader stay abreast of the many new developments in computational techniques
• The chapters are approached in a tutorial manner and wirtten in a non-mathematical style allowing students and researches to access computational methods outside their immediate area of expertise

Spis treści

Computations in Treating Fullerenes and Carbon Aggregates.

Pseudopotential Calculations of Transitions Metals Compounds–Scope and Limitation.

Effective Core Potential Approaches to the Chemistry of the Heavier Elements.

Relativistic Effects in Chemistry.

The Ab Initio Computation of Nuclear Magnetic Resonance Chemical Shielding.

Indexes.