Jan H. Jensen's Molecular Modeling Basics PDF

By Jan H. Jensen

ISBN-10: 1138458082

ISBN-13: 9781138458086

ISBN-10: 1420075268

ISBN-13: 9781420075267

Molecular modeling is changing into an more and more very important a part of chemical examine and schooling as desktops develop into swifter and courses develop into more straightforward to exploit. the consequences, in spite of the fact that, haven't turn into more straightforward to appreciate. Addressing the necessity for a "workshop-oriented" publication, Molecular Modeling Basics presents the elemental thought had to comprehend not just what molecular modeling courses do, but in addition the gist of analysis papers that describe molecular modeling results.

Written in a succinct demeanour utilizing casual language, the publication provides concise assurance of key options compatible for beginners to the sphere. It starts off by means of interpreting the aptitude strength floor (PES), which supplies the relationship among experimental facts and molecular modeling. It explores how you can calculate power by means of molecular and quantum mechanics. It describes molecular houses and the condensed section, and exhibits how you can extract and interpret details from a software output. the writer makes use of hands-on workouts to demonstrate options and he supplementations the textual content with a weblog containing lively tutorials and interactive figures.

Drawn from the author’s personal lecture notes from a category he taught for a few years on the collage of Iowa, this quantity introduces issues in this type of method that newbies can essentially understand molecular modeling effects. an ideal complement to a molecular modeling textbook, the booklet deals scholars the "hands-on" perform they should snatch subtle concepts.

In addition to his weblog, the writer continues an internet site describing his learn and one detailing his seminars.

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Molecular Modeling Basics by Jan H. Jensen

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