عنوان

Molecular modeling for the design of novel performance chemicals and materials /

1439840784 (hardback)

9781439840788 (hardback)

b419089

Molecular modeling for the design of novel performance chemicals and materials /

[Book]

edited by Beena Rai

Boca Raton :

CRC Press,

c2012

xvi, 382 p. :

ill. (chiefly col.) ;

27 cm

Includes bibliographical references and index

This book describes molecular modeling techniques and details a broad spectrum of applications, from pharmaceuticals to construction. It opens with a review of molecular modeling tools, then presents three chapters dealing with the modeling of mineral-reagent interactions. Later chapters examine the application of molecular modeling tools in the creation of surfactant systems, the design of novel porous materials for improved industrial processes, the study of wettability on solid surfaces, and the use of density functional theory in hydrogen storage materials, semiconductor alloys, and cement clinker compounds. Illustrated with a wealth of color images and process diagrams, the book will be of interest to practicing engineers and chemists. Rai is affiliated with the Process Engineering Innovation Lab at Tata Research Development & Design Center. Annotation ©2012 Book News, Inc., Portland, OR (booknews.com)

Drugs-- Design

Molecular pharmacology

Molecules-- Models

Rai, Beena

20120502000203.0

[Book]

Y