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Molecular Modelling for Beginners
Ebook Free Molecular Modelling for Beginners
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Review
"This book has been written as an introduction to molecular modeling and is particularly useful to students new to the field. It is particularly good as a reference material as it explains many commonly used terms and equations in a clear and concise manner." (Chromatographia, January 2010) “A useful and comprehensive introduction to the field of molecular modeling for those who wish to understand the theory behind many of the methods in use today“(Reviews, May 2009)
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About the Author
Alan Hinchliffe Department of Chemistry, UMIST, Manchester, UK.
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Product details
Paperback: 428 pages
Publisher: Wiley; 2 edition (December 8, 2008)
Language: English
ISBN-10: 0470513144
ISBN-13: 978-0470513149
Product Dimensions:
6.7 x 0.9 x 9.6 inches
Shipping Weight: 1.9 pounds (View shipping rates and policies)
Average Customer Review:
5.0 out of 5 stars
3 customer reviews
Amazon Best Sellers Rank:
#1,613,421 in Books (See Top 100 in Books)
This review compares two excellent recent texts in molecular modeling for novices--Jensen's: Molecular Modeling Basics and Hinchliffe's: Molecular Modelling for Beginners.-- Both texts are about $50 at this writing (update: Jensen dropped to $37 from $49, right after this review)-- Jensen is 161 pages, first edition; Hinchliffe is 428 pages, second edition-- Both texts are targeted to "beginners" - which after studying either text, you'll come to find means beginners in computational chemistry, but already well versed in the basics of chemistry, math and physics-- Both texts rate 5 stars in my opinion, as both have different objectives and styles-- Both make great self study texts, and great references for relating formulas to models-- Both websites/blogs are up to date at this writing with additional examples, solutions, and even animations in the case of Jensen. Jensen's web resources are a star higher than Hinchliffe.At a first purely quantitative glance, at the same price with an approximate 260 page difference at the same price, and with both having similar currency/ recency of info, Hinchliffe would win given only the above. Pedagogically, both are excellent, but very different in style.Jensen PACKS formulas into every page, and studying this little text is like gold mining, and takes careful attention. Jensen takes far less time to explain software, but does get the beginner to the INTERPRETATION of software output. There is a very clear link between formula and model, so you "get" the ideas more clearly than with a straight computational chem text of, say, 650 pages, as many are.Hinchliffe is between a cc text and Jensen's pure litany of model vs. equations. He takes more time and space to explain background and give real world examples than Jensen. The foundation concepts of cc include: Statistical methods (thermodynamic and quantum); bonding/geometry/kinetics/atoms; Spectroscopy; 5 or 6 key software programs; potential energy surface; molecular dynamics and energy calculations; Schrodinger and spin.Both texts cover the basics, but just due to volume, Hinchliffe goes into more breadth and depth. Jensen's illustrations are a little clearer in relating graphic to formula/equation than Hinchliffe, but on the other hand, Hinchliffe gives many more applied examples and details, including an excellent section in this new edition on how research and discovery USE modeling and software. It takes years of experience to sort out signal from noise in interpreting models! Both are outstanding in showing how the models relate to basic principles AND computational equations, but of course neither go into the computational detail found in a pure CC text, although Hinchliffe gives many more examples to help the student understand the ones that are covered.Neither text gets too advanced with group theory, advanced dynamical systems ala probabilistic models, PDE's, matrix calculus, linear algebra, etc. although both cover statistical methods (by definition in this field today) relatively extensively. Neither get to tensor details or gauge theory details. So, the "beginners" premise is fair, but neither is frankly basic undergrad--I'd call them both undergrad, but after p-chem.On the other hand, both make excellent "visual" and modeling/software tools to complement a more rigorous computational chemistry or even p-chem course itself --a must have if it is your first! Jensen's book IS for that purpose, Hinchliffe attempts to be more stand alone, and does strike a fair balance.Strangely, although there are many similarly covered topics, the approaches are different enough that buying both books would not give you as much overlap as you'd expect! In my opinion, the two together would make a much better CC course together than the $180 cc text you probably will use!If you can only afford one, here is the question: how much of a beginner are you, really? If you're VERY early in the process, and especially if you're new to p-chem, choose Hinchliffe. If you have more experience and can "take" less applied/ intuitive examples given quickly and furiously, choose Jensen, as the examples are plentiful and staccato. You can't go wrong with either.KINDLE note: Neither text uses LaTex or exponential formulas that get slaughtered on e-readers, so both read perfectly well on Kindle, Amazon cloud, pc's, tablets, etc. Budget suggestion: get Hinch in print and Jens on Kindle!NOTE: NEITHER OF THESE TEXTS ARE FOR HIGH SCHOOL OR K-12 "MODELING" OF MOLECULES WITH THE LITTLE MODELING SETS TEACHERS USE! THESE ARE COMPUTATIONAL CHEMISTRY TEXTS, AND BY MODELING THE AUTHORS MEAN COMPUTATIONAL OUTPUTS OF SOFTWARE. Yes, there are many cool pictures and output, but I don't want a mom or dad wasting money thinking these are "guides" for putting together very basic bonds, physical models, etc. Actually, as a parent or teacher, YOU might enjoy either!Library Picks reviews only for the benefit of Amazon shoppers and has nothing to do with Amazon, the authors, manufacturers or publishers of the items we review. We always buy the items we review for the sake of objectivity, and although we search for gems, are not shy about trashing an item if it's a waste of time or money for Amazon shoppers. If the reviewer identifies herself, her job or her field, it is only as a point of reference to help you gauge the background and any biases.
It has a lot more detail than Dr. Jan Jensen's book, which is what I first read before starting to do calculations. Now I can learn the fundamentals, already knowing how I'd apply them to quantum mechanical calculations.
Concise and relevant. Excellent book...
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