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Books > Science & Mathematics > Physics > Applied physics & special topics > Chemical physics
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Molecular Modeling Basics (Hardcover)
Loot Price: R5,803
Discovery Miles 58 030
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Molecular Modeling Basics (Hardcover)
Expected to ship within 12 - 17 working days
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Molecular modeling is becoming an increasingly important part of
chemical research and education as computers become faster and
programs become easier to use. The results, however, have not
become easier to understand. Addressing the need for a
"workshop-oriented" book, Molecular Modeling Basics provides the
fundamental theory needed to understand not only what molecular
modeling programs do, but also the gist of research papers that
describe molecular modeling results. Written in a succinct manner
using informal language, the book presents concise coverage of key
concepts suitable for novices to the field. It begins by examining
the potential energy surface (PES), which provides the connection
between experimental data and molecular modeling. It explores ways
to calculate energy by molecular and quantum mechanics. It
describes molecular properties and the condensed phase, and shows
how to extract and interpret information from a program output. The
author uses hands-on exercises to illustrate concepts and he
supplements the text with a blog containing animated tutorials and
interactive figures. Drawn from the author's own lecture notes from
a class he taught for many years at the University of Iowa, this
volume introduces topics in such a way that beginners can clearly
comprehend molecular modeling results. A perfect supplement to a
molecular modeling textbook, the book offers students the
"hands-on" practice they need to grasp sophisticated concepts. In
addition to his blog, the author maintains a website describing his
research and one detailing his seminars.
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