Python for Chemists
The chapters for which resources are currently available are listed below. If you find any typos or other mistakes in the book, please email me and I will place corrections on this website.
- 8.File Input/Output
- 9.Basic NumPy
- 10.Graph Plotting with Matplotlib
- 12.Liquid–Vapour Equilibrium
- 14.LaTeX
- 19.Linear Least Squares Fitting I
- 28.Rotational Spectroscopy
- 29.Peak Finding
- 30.Fitting the Vibrational Spectrum of CO
- 31.pandas
- 32.Simulating a Powder Diffraction Spectrum
- 34.Nonlinear Fitting and Constrained Optimization
- 39.Atomic Structure