R for Quantitative Chemistry av David K. (City College City University of New York) Gosser

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<P>R for Quantitative Chemistry is an exploration of how the R language can be applied to a wide variety of problems in what is typically termed "Quantitative Chemistry" or sometimes "Analytical Chemistry". Topics include: basic statistics, spectroscopic data, acid base equilibria and titrations, binding curves (of great current interest for biomedical applications), Fourier Transforms, and chemical kinetics and enzyme kinetics. An innovative feature is the discussion (as an alternative to the less stable nls packages) of the simplex adaptation subplex (R package) coupled with Monte Carlo analysis to determine confidence intervals for estimated parameters resulting from least squares optimization. Chemists who are interested in learning R as a research tool as well as Chemists who are teaching Quantitative Chemistry, as well as their students will be interested. This book is useful as most R books approach data analysis from an economic, social, medical, or biological context. Analysis