Structure Correlation - Couverture rigide

Couverture rigide

ISBN 10 : 3527290427 ISBN 13 : 9783527290420

Editeur : Wiley-VCH Verlag GmbH, 1994

Synopsis

This two-volume book provides an overview of modern methods for interpreting structural (ie. crystallographic) data. The book focuses on molecular substances, including inorganic complexes and biological macromolecules, but ionic materials are also discussed. Some chapters centre on detailed interpretations of bond lengths and angles within classes of molecular fragments, while other chapters are devoted to the interactions between molecules, ie. to the principles of molecular aggregation and crystal packing. Volume One begins with a presentation of tools. Co-ordinate systems transformations and symmetry are treated in the first two chapters; some aspects of databases are described in Chapter Three; statistical and numerical methods of data analysis are outlined in Chapter Four. Volume One continues with three chapters on reaction paths (transformations of carbonyl derivatives; nucelophilic substitution reactions; ligand rearrangements and substitutions in transition-metal complexes) and one on conformational analysis. Volume Two begins with three chapters on crystal packing (extended inorganic structures; hydrogen-bonded assemblies; van der Waals crystals). It continues with five chapters on proteins (ligand-receptor interactions; steroid receptors; patterns in secondary and tertiary protein structure; correlation of protein structure with sequence; prediction of structures of hexapeptides) and a final chapter on structural patterns in nucleic acids. Volume Two concludes with several appendices, including a table of standard bond lengths based on data in the Cambridge Structural Database, and an index.

A propos du livre

Présentation de l'éditeur

This book leaves the conventional view of chemical structures far behind: it demonstrates how a wealth of valuable, but hitherto unused information can be extracted from available structural data. For example, a single structure determination does not reveal much about a reaction pathway, but a sufficiently large number of comparable structures does. Finding the ′right′ question is as important as is the intelligent use of crystallographic databases.

Contributions by F.H. Allen, T.L. Blundell, I.D. Brown, H.B. Bürgi, J.D. Dunitz, L. Leiserowitz and others, authoritatively discuss the structure correlation method as well as illustrative results in detail, covering such apparently unrelated subjects as ∗ Bond strength relations in soldis
∗ Crystal structure prediction
∗ Reaction pathways of organic molecules
∗ Ligand/receptor interactions and enzyme mechanisms

This book will be useful to the academic and industrial reader alike. It offers both fundamental aspects and diverse applications of what will surely become a powerful branch of structural chemistry.

Détails de l'édition

• Éditeur: Wiley-VCH Verlag GmbH
• Date d'édition: 1994
• Langue: anglais
• ISBN 10: 3527290427
• ISBN 13: 9783527290420
• Reliure: Relié
• Nombre de pages: 888
• Éditeur: Buergi H-.B., Dunitz Jack David
• Coordonnées du fabricant: non disponible
• Personne responsable: non disponible