Python for Chemists
portes grátis
Python for Chemists
Hill, Christian
Cambridge University Press
10/2023
560
Mole
Inglês
9781009102049
15 a 20 dias
Descrição não disponível.
1. Introduction; 2. Basic Python usage; 3. Strings; 4. Lists and loops; 5. Comparisons and flow control; 6. Functions; 7. Data structures; 8. File input/output; 9. Basic numpy; 10. Graph plotting with Matplotlib; 11. The steady-state approximation; 12. Liquid-vapour equilibrium; 13. Jupyter notebook; 14. LaTeX; 15. Chemistry databases and file formats; 16. More NumPy and Matplotlib; 17. Thermodynamic cycles; 18. Vectors, matrices and linear algebra; 19. Linear least squares fitting I; 20. Linear least squares fitting II; 21. Numerical integration; 22. Optimization with scipy.optimize; 23. Vibrational spectroscopy; 24. The morse oscillator; 25. Solving ordinary differential equations; 26. The oregonator; 27. Root-finding with scipy.optimize; 28. Rotational spectroscopy; 29. Peak finding; 30. Fitting the vibrational spectrum of CO; 31. pandas; 32. Simulating a powder diffraction spectrum; 33. The Hueckel approximation; 34. Nonlinear fitting and constrained optimization; 35. SymPy; 36. Molecular orbital theory for H2+; 37. Approximations of the helium atom electronic energy; 38. Computational chemistry with Psi4 and Python; 39. Atomic structure; 40. Solutions.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
1. Introduction; 2. Basic Python usage; 3. Strings; 4. Lists and loops; 5. Comparisons and flow control; 6. Functions; 7. Data structures; 8. File input/output; 9. Basic numpy; 10. Graph plotting with Matplotlib; 11. The steady-state approximation; 12. Liquid-vapour equilibrium; 13. Jupyter notebook; 14. LaTeX; 15. Chemistry databases and file formats; 16. More NumPy and Matplotlib; 17. Thermodynamic cycles; 18. Vectors, matrices and linear algebra; 19. Linear least squares fitting I; 20. Linear least squares fitting II; 21. Numerical integration; 22. Optimization with scipy.optimize; 23. Vibrational spectroscopy; 24. The morse oscillator; 25. Solving ordinary differential equations; 26. The oregonator; 27. Root-finding with scipy.optimize; 28. Rotational spectroscopy; 29. Peak finding; 30. Fitting the vibrational spectrum of CO; 31. pandas; 32. Simulating a powder diffraction spectrum; 33. The Hueckel approximation; 34. Nonlinear fitting and constrained optimization; 35. SymPy; 36. Molecular orbital theory for H2+; 37. Approximations of the helium atom electronic energy; 38. Computational chemistry with Psi4 and Python; 39. Atomic structure; 40. Solutions.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
