Pictures, numbers, equations
Molecular modelling basics
Boca Raton, US: CRC Press 2010 | 189pp | £29.99
Reviewed by Henry Rzepa
It has become so easy to purchase a program (or nowadays download an app) and with it produce attractive pictures that understanding the underlying numbers is now the challenge. And numbers come from equations. The small book Molecular modelling basics by Jan Jensen is very much a primer for those who want to discover the equation behind the picture. In a mere 166 pages, a dizzying number of the mathematical concepts behind modelling are covered, and the equations are good value for money, with 252 set out and annotated with 125 figures. The accompanying text is inevitably succinct.
I got a lot myself from this concentrated dosage, but have to ask: who else is this book aimed at? Not, I suspect, experimental or synthetic chemists who want to know how that modelling program achieves its miraculous predictions. Certainly theoretical chemists wishing to broaden their horizons. But the former are warmly encouraged to dip into the wonderful blog that accompanies the book!
Paul Dirac quotes
Molecular Modeling Basics
The "how to" of molecular modeling in education and research
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