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Molecular Modeling and Theory in Chemical Engineering

2001-12-18 Technology & Engineering
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Release : 2001-12-18
Genre : Technology & Engineering
Kind : eBook
Book Rating : 269/5 ( reviews)

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Book Synopsis Molecular Modeling and Theory in Chemical Engineering by : James Wei

Download or read book Molecular Modeling and Theory in Chemical Engineering written by James Wei. This book was released on 2001-12-18. Available in PDF, EPUB and Kindle. Book excerpt: In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.

Molecular Modeling and Theory in Chemical Engineering

2001 Science
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Release : 2001
Genre : Science
Kind : eBook
Book Rating : 748/5 ( reviews)

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Book Synopsis Molecular Modeling and Theory in Chemical Engineering by : Arup Chakraborty

Download or read book Molecular Modeling and Theory in Chemical Engineering written by Arup Chakraborty. This book was released on 2001. Available in PDF, EPUB and Kindle. Book excerpt: A useful reference for the practising engineer or material scientist This volume presents discussions of theoretical and computational methods as well as their applications to specific technologies such as catalysis, microstructured polymeric materials, biological materials, directed evolution of proteins, microelectronics processing, and combinatorial chemistry. This paperback serves as a handy, essential reference for the practicing chemical engineer, chemist, or materials scientist interested in learning about current capabilities of theory and computation in complementing experimental research aimed toward the design of new products. This paperback edition is adapted from the serial Advances in Chemical Engineering, Volume 28, 2001 ISBN: 0-12-008528-3.

Foundations of Molecular Modeling and Simulation

2021-03-25 Science
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Release : 2021-03-25
Genre : Science
Kind : eBook
Book Rating : 397/5 ( reviews)

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Book Synopsis Foundations of Molecular Modeling and Simulation by : Edward J. Maginn

Download or read book Foundations of Molecular Modeling and Simulation written by Edward J. Maginn. This book was released on 2021-03-25. Available in PDF, EPUB and Kindle. Book excerpt: This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.

Applying Molecular and Materials Modeling

2013-04-17 Science
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Release : 2013-04-17
Genre : Science
Kind : eBook
Book Rating : 650/5 ( reviews)

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Book Synopsis Applying Molecular and Materials Modeling by : Phillip R. Westmoreland

Download or read book Applying Molecular and Materials Modeling written by Phillip R. Westmoreland. This book was released on 2013-04-17. Available in PDF, EPUB and Kindle. Book excerpt: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.

Computational Chemistry and Molecular Modeling

2008-05-20 Science
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Release : 2008-05-20
Genre : Science
Kind : eBook
Book Rating : 045/5 ( reviews)

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Book Synopsis Computational Chemistry and Molecular Modeling by : K. I. Ramachandran

Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran. This book was released on 2008-05-20. Available in PDF, EPUB and Kindle. Book excerpt: The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.

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