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Product details

File Size: 10267 KB

Print Length: 351 pages

Page Numbers Source ISBN: 1118119967

Publisher: Wiley; 1 edition (June 15, 2012)

Publication Date: June 15, 2012

Sold by: Amazon Digital Services LLC

Language: English

ASIN: B008CIS3GU

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Amazon Best Sellers Rank:

#1,351,563 Paid in Kindle Store (See Top 100 Paid in Kindle Store)

While I teach molecular modeling at the undergraduate and graduate level, I am far from a card carrying theorist or computational chemist. My need for computational chemistry is highly applied. Hence I really need books which provide examples and detail about how to set up and interpret, not those packed with equations.This book meets my needs. My opinion is this book is an excellent introduction and companion to the current standard NBO6 manual and online NBO6 tutorials and website; note that the book primarily concerns up to NBO5, but I didn’t see much difference from NBO6. The content does a good job of bridging from novice to intermediate level, with elements of some advanced (for me) treatment here and there. Most of the very well illustrated examples are for use with Gaussian 09 with significant detail on specifying parameterization for both G09 and NBO. This G09/NBO parameterization detail takes away a lot of guesswork for those relatively new to NBO.I recommend this book to graduate students, faculty and researchers getting started with NBO, and those who have some experience, but desire additional tips and insights.

This book is excessively basic. It dit not meet my expectations.

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