This package provides functions to compute Marcus, Marcus-Levich-Jortner or Landau-Zener charge transfer rates. These rates can then be used to perform kinetic Monte Carlo simulations to estimate charge carrier mobilities in molecular materials.

A set of functions to calculate check digits according to
various algorithms and to verify whether a string ends in a
valid check digit

person("Justin", "Brantley", , "fascinatingfingers@icloud.com", role = c("aut", "cre"))
Check digits are used like file hashes to verify that a
number has been transcribed accurately. The functions provided by this
package help to calculate and verify check digits according to various
algorithms.

Bryan A. Hanson DePauw University, Greencastle Indiana USA
A collection of functions for plotting spectra (NMR, IR
etc) and carrying out various forms of top-down exploratory
data analysis, such as HCA, PCA and model-based clustering.
The design allows comparison of data from samples which fall
into groups such as treatment vs. control.  Robust methods
appropriate for this type of high-dimensional data are
available.  ChemoSpec is designed to be very user friendly and
suitable for people with limited background in R.
chemometrics, robustbase, RColorBrewer, plyr, pcaPP, mvtnorm,
mvoutlier, pls, lattice, grid, rgl, R.utils, mclust, seriation

chemometrics, robustbase, RColorBrewer, plyr, pcaPP, mvtnorm,
mvoutlier, pls, lattice, grid, rgl, R.utils, mclust, seriation,
ggplot2

chemometrics, robustbase, RColorBrewer, plyr, pcaPP, mvtnorm,
mvoutlier, pls, lattice, grid, rgl, R.utils, mclust, seriation,
ggplot2, amap

A collection of functions for plotting spectra (NMR, IR etc) and carrying out various forms of top-down exploratory data analysis, such as HCA, PCA and model-based clustering.  The design allows comparison of data from samples which fall into groups such as treatment vs. control.  Robust methods appropriate for this type of high-dimensional data are available.  ChemoSpec is designed to be very user friendly and suitable for people with limited background in R.
pls, seriation, amap, chemometrics, robustbase, RColorBrewer,
plyr, pcaPP, mvtnorm, mvoutlier, lattice, grid, rgl, R.utils,
mclust, mvbutils, MASS