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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
29. Peak Finding
30. Fitting the Vibrational Spectrum of CO
31. pandas
32. Simulating a Powder Diffraction Spectrum
- Examples 1
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
29. Peak Finding
30. Fitting the Vibrational Spectrum of CO
31. pandas
32. Simulating a Powder Diffraction Spectrum
- Examples 1
34. Nonlinear Fitting and Constrained Optimization
39. Atomic Structure

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Python for Chemists
32. Simulating a Powder Diffraction Spectrum

32. Simulating a Powder Diffraction Spectrum

Examples (1)

32Simulating a Powder Diffraction Spectrum

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