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Python for Chemists

Chapters

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
- Examples 1
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

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
- Examples 1
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

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Python for Chemists
28. Rotational Spectroscopy
Examples

Examples

12Rotational Spectroscopy of CO and PH3

Companion site to Learning Scientific Programming with Python and Python for Chemists by Christian Hill (Cambridge University Press).