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Understanding Organic Chemistry Through Computation

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Understanding Organic Chemistry Through Computation

This online textbook works to clarify challenging concepts in introductory organic chemistry by applying tools from computational chemistry to validate fundamental principles. Utilizing open-access computational resources, students are guided through a set of exercises where core concepts of organic reactivity are explored and visualized.

Organic ChemistryChemistry
Author
Nicholas Boaz and Orion Pearce
Publisher
North Central College
Source
LibreTexts
License
CC BY-NC-SA
Language
EN
Category
Basic Sciences
Read online Download PDF (open licence)
Contents· 59 sections
  1. 01: Introduction to Avogadro
  2. 1.01: Overview
  3. 1.02: Background
  4. 1.03: Computational Instructions
  5. 1.04: Exercise Questions
  6. 02: Bond Lengths and Resonance
  7. 2.01: Overview
  8. 2.02: Background
  9. 2.03: Computational Instructions
  10. 2.04: Exercise Questions
  11. 03: Visualizing Molecular Orbitals with Avogadro and Orca
  12. 3.01: Overview
  13. 3.02: Background
  14. 3.03: Computational Instructions
  15. 3.04: Exercise Questions
  16. 04: Measuring Equilibrium on Cyclohexane Chair Structures
  17. 4.01: Overview
  18. 4.02: Background
  19. 4.03: Computational Instructions
  20. 4.04: Exercise Questions
  21. 05: Computing and Visualizing Infrared Spectra of Organic Molecules
  22. 5.01: Overview
  23. 5.02: Background
  24. 5.03: Computational Instructions
  25. 5.04: Exercise Questions
  26. 06: Manipulating of Molecules in Three Dimensions
  27. 6.01: Overview
  28. 6.02: Background
  29. 6.03: Computational Instructions
  30. 6.04: Exercise Questions
  31. 07: Thermodynamics Kinetics and the Reaction Coordinate Diagram
  32. 7.01: Overview
  33. 7.02: Background
  34. 7.03: Computational Instructions
  35. 7.04: Exercise Questions
  36. 08: Understanding the Effect of Solvation on E2 Reactions
  37. 8.01: Overview
  38. 8.02: Background
  39. 8.03: Computational Instructions
  40. 8.04: Exercise Questions
  41. 09: Calculating Bond Dissociation Enthalpy and Analyzing the Radical Chlorination of Norbornane
  42. 9.01: Overview
  43. 9.02: Background
  44. 9.03: Computational Instructions
  45. 9.04: Exercise Questions
  46. 10: Examining the Synthesis of Naturally Occurring Cyclobutane Compounds
  47. 10.01: Overview
  48. 10.02: Background
  49. 10.03: Computational Instructions
  50. 10.04: Exercise Questions
  51. 11: Examining the Energetics of Selectivity in Electrophilic Aromatic Substitution
  52. 11.01: Overview
  53. 11.02: Background
  54. 11.03: Exercise Questions
  55. 12: Measuring the influence of ring strain in ether substitution
  56. 12.01: Overview
  57. 12.02: Background
  58. 12.03: Computational Instructions
  59. 12.04: Exercise Questions