Molecular Modeling for the Design of Novel Performance Chemicals and Materials

Author:   Beena Rai
Publisher:   Taylor & Francis Inc
ISBN:  

9781439840788


Pages:   398
Publication Date:   23 March 2012
Format:   Hardback
Availability:   In Print   Availability explained
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

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Molecular Modeling for the Design of Novel Performance Chemicals and Materials


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Full Product Details

Author:   Beena Rai
Publisher:   Taylor & Francis Inc
Imprint:   CRC Press Inc
Dimensions:   Width: 17.80cm , Height: 2.00cm , Length: 25.40cm
Weight:   0.988kg
ISBN:  

9781439840788


ISBN 10:   1439840784
Pages:   398
Publication Date:   23 March 2012
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   In Print   Availability explained
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

Table of Contents

Basic Concepts in Molecular Modeling. Rational Design of Selective Industrial Performance Chemicals Based on Molecular Modeling Computations. Molecular Modeling of Mineral Surface Reactions in Flotation. Molecular Dynamics Simulation Analysis of Solutions and Surfaces in Nonsulfide Flotation Systems. Application of Molecular Modeling in Pharmaceutical Crystallization and Formulation. Studies on the Microstructure in Water–Surfactant Systems Using Atomistic and Mesoscale Simulations. Molecular Simulation of Wetting Transitions on Novel Materials. Molecular Modeling of Capillary Condensation in Porous Materials. Solid–Liquid Phase Transition Under Confinement. Computing Transport in Materials. Simulation of Crystals with Chemical Disorder at Lattice Sites. Design of Compound Semiconductor Alloys Using Molecular Simulations. Structural Properties of Cement Clinker Compound by First- Principles Calculations. First Principles Modeling of the Atomic and Electronic Properties of Palladium Clusters Adsorbed on TiO2 Rutile (110) Surface. Index.

Reviews

Illustrated with a wealth of color images and process diagrams, the book will be of interest to practicing engineers and chemists. -SciTech News, Vol. 66, September 2012


Illustrated with a wealth of color images and process diagrams, the book will be of interest to practicing engineers and chemists. -SciTech News, Vol. 66, September 2012


Illustrated with a wealth of color images and process diagrams, the book will be of interest to practicing engineers and chemists. —SciTech News, Vol. 66, September 2012


Illustrated with a wealth of color images and process diagrams, the book will be of interest to practicing engineers and chemists. -SciTech News, Vol. 66, September 2012


Author Information

Beena Rai is a Senior Scientist at the Tata Research Development and Design Centre in Pune, India.

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