Quantum Chemical Methods in Main-Group Chemistry - Couverture rigide

Klap¿tke, Thomas M.; Schulz, Axel

Couverture rigide

ISBN 10 : 0471972428 ISBN 13 : 9780471972426

Editeur : John Wiley & Sons Inc, 1998

Synopsis

Book by Klapn246tke Thomas M Schulz Axel

A propos du livre

Présentation de l'éditeur :

Quantum Chemical Methods In Main–Group Chemistry Thomas M.Klapötke Axel Schulz University of Munich, Germany With aninvited chapter by Richard D. Harcourt University of Melbourne,Australia Computational quantum chemistry has emerged in recentyears as a key tool for the elucidation of molecular structure andmolecular properties. However, it is still sometimes regarded as ahighly theoretical subject of limited practical value. In this bookthe authors emphasize the strong link between quantum chemicalcalculations and experiment. The book is a fascinating blend oftheory and experiment, and deals with topical and interestingmolecules, using state–of–the–art techniques and accompanied byfull explanations. In Part 1 of Quantum Chemical Methods inMain–Group Chemistry, modern quantum mechanical procedures aredescribed in a concise and systematic manner. Sufficient theory isprovided to enable the reader to come to terms with the primaryfeatures of the methodology. In Part II, numerous applications ofthese procedures are described. These applications provideextensive consideration of highly topical and interesting modernchemistry, and also illustrate aspects of the methodology. PartIII, which is new in the English edition, is written by ProfessorRichard D. Harcourt. To provide a fully balanced approach to thesubject, this part provides valence bond descriptions, andconsiderable attention is given to the use of Paulingthree–electron bonds and increased valence structures. Relevantvalence–bond concepts are reviewed briefly in the first chapters ofPart III. Quantum Mechanical Methods in Main–Group Chemistryprovides an invaluable link between computational quantum chemicaltechniques and practical, modern chemistry. As such, it is animportant resource for both the advanced undergraduate andpostgraduate student, and also for the more experienced researcher.

À propos de cette édition

• Éditeur: John Wiley & Sons Inc
• Date d'édition: 1998
• ISBN 10: 0471972428
• ISBN 13: 9780471972426
• Reliure: Relié
• Nombre de pages: 280