Automatic Structure Elucidation

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Table des matières

  1. Automatic Structure Analysis of Organic Molecules
  2. Organic Molecules
  3. Structure of molecules
  4. Planar structure
  5. 3-D Structure
  6. Structure Analysis
  7. Structure Analysis
  8. Analytical Methods
  9. Mass spectra
  10. Infra-Red (IR) Spectra
  11. Ultra-Violet (UV) spectra
  12. NMR spectra
  13. 1H NMR
  14. 13C NMR
  15. RMN couplings
  16. Important Role of NMR
  17. An (My) NMR spectrometer
  18. 1H-1H couplings
  19. 1H-13C couplings
  20. 2D NMR
  21. 2D 1H-1H NMR
  22. 2D 1H-13C NMR
  23. HSQC + COSY + HMBC
  24. The LSD program
  25. Case study
  26. 13C Spectrum
  27. HSQC, 1J correlations
  28. 1H Spectrum
  29. Mass and RMN Spectra
  30. COSY Spectrum
  31. HMBC Spectrum
  32. The 3 indeterminacy levels
  33. Input interface
  34. Coding for LSD
  35. Coding for LSD
  36. Execution control commands
  37. Results
  38. Sorties graphiques de LSD
  39. Solutions
  40. How LSD works (1)
  41. How LSD works (2)
  42. Correlations -> Structure
  43. Using a Correlation
  44. Resolution (1)
  45. Début de la résolution (2)
  46. Début de la résolution (3)
  47. Début de la résolution (4)
  48. Début de la résolution (5)
  49. Début de la résolution (6)
  50. Correlation analysis
  51. Failure
  52. Implementation
  53. Examples... (1)
  54. Examples... (2)
  55. Examples... (3)
  56. Examples... (4)
  57. Examples... (5)
  58. Examples... (6)
  59. Bibliography
  60. Perspectives
Created March, 3rd 2004 by Jean-Marc Nuzillard with KPresenter