Molecular Modeling for the Design of Novel Performance by Beena Rai

By Beena Rai

Molecular modeling (MM) instruments provide major merits within the layout of business chemical vegetation and fabric processing operations. whereas the function of MM in organic fields is definitely confirmed, ordinarily MM works as an adjunct in novel products/materials improvement instead of a device for direct innovation. consequently, MM engineers and practitioners are usually seized with the query: "How do I leverage those instruments to improve novel fabrics or chemical compounds in my industry?"



Molecular Modeling for the layout of Novel functionality chemical substances and Materials solutions this crucial query through an easy and functional method of the MM paradigm. utilizing case reports, it highlights the significance and usefulness of MM instruments and methods in a variety of commercial purposes. The e-book provides particular case stories demonstrating different functions equivalent to mineral processing, prescribed drugs, ceramics, power garage, digital fabrics, paints, coatings, agrochemicals, and private care.


The ebook is split into themed chapters overlaying a various diversity of business case reports, from prescribed drugs to cement. whereas not likely too in-depth into basic points, the publication covers just about all paradigms of MM, and references are supplied for extra studying. The textual content comprises greater than a hundred colour illustrations of molecular models.

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