Windows

Statistical mechanics program to calculate thermodynamic functions from spectroscopic data (for a multiplatform version see Maple below)

Program to calculate back-Laue diffraction patterns for face-centred cubic crystals

Maple

Routines to calculate and plot hydrogenic and Slater-type orbitals. The newest 2015 version is available from the Maple Applications Centre or on MapleCloud if you are using Maple 2017. The older 2007 version is here.

A worksheet that provides procedure immfit, which carries out complex nonlinear least squares fitting of experimental data to an arbitrary function of s = Iω. This can be used to fit impedance, admittance or other similar data, in which real and imaginary parts are measured as a function of frequency, to theoretical expressions such as expressions for the impedance of an electrical circuit. Available from the Maple Applications Centre

Worksheet for Electrochemical Impedance Spectroscopy (large amplitude and harmonics) for surface mechanisms.

Statistical mechanics program to calculate thermodynamic functions from spectroscopic data