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Molecular Structure (Understanding Steric and Electronic Effects from Molecular Mechanics) || Molecular Structures by Computational Methods

✍ Scribed by Allinger, Norman L.

Publisher: John Wiley & Sons, Inc.
Year: 2010
Tongue: English
Weight: 731 KB
Edition: 1
Category: Article
ISBN: 0470195576
DOI: 10.1002/9780470608852.ch3

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✦ Synopsis

We might begin this discussion with the following question: Why do you want to calculate something? The answer to this question, as given by Lord Kelvin, president 3 MOLECULAR STRUCTURES BY COMPUTATIONAL METHODS * * Two general references on the subject of computational chemistry will be cited here, as they will be useful to just about everyone who is interested in this kind of work. The fi rst of these is Encyclopedia of Computational Chemistry , P.

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