Understanding Organic Chemistry Through Computation

by Nicholas Boaz and Orion Pearce

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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.

Description from LibreTexts.

Publisher
North Central College
Subjects
Chemistry, Organic Chemistry
Licence
CC BY-NC-SA 4.0, as LibreTexts states it. Non-commercial use only.
Who can read
Tweens profiles and older, judged from its title and subjects

Contents

LibreTexts writes equations in TeX, and here they show as TeX; the PDF has them typeset.

  1. Front Matter
  2. TitlePage
  3. InfoPage
  4. Table of Contents
  5. Licensing
  6. 1: Introduction to Avogadro
  7. 1.1: Overview
  8. 1.2: Background
  9. 1.3: Computational Instructions
  10. 1.4: Exercise Questions
  11. 2: Bond Lengths and Resonance
  12. 2.1: Overview
  13. 2.2: Background
  14. 2.3: Computational Instructions
  15. 2.4: Exercise Questions
  16. 3: Visualizing Molecular Orbitals with Avogadro and Orca
  17. 3.1: Overview
  18. 3.2: Background
  19. 3.3: Computational Instructions
  20. 3.4: Exercise Questions
  21. 4: Measuring Equilibrium on Cyclohexane Chair Structures
  22. 4.1: Overview
  23. 4.2: Background
  24. 4.3: Computational Instructions
  25. 4.4: Exercise Questions
  26. 5: Computing and Visualizing Infrared Spectra of Organic Molecules
  27. 5.1: Overview
  28. 5.2: Background
  29. 5.3: Computational Instructions
  30. 5.4: Exercise Questions
  31. 6: Manipulating of Molecules in Three Dimensions
  32. 6.1: Overview
  33. 6.2: Background
  34. 6.3: Computational Instructions
  35. 6.4: Exercise Questions
  36. 7: Thermodynamics, Kinetics, and the Reaction Coordinate Diagram
  37. 7.1: Overview
  38. 7.2: Background
  39. 7.3: Computational Instructions
  40. 7.4: Exercise Questions
  41. 8: Understanding the Effect of Solvation on E2 Reactions
  42. 8.1: Overview
  43. 8.2: Background
  44. 8.3: Computational Instructions
  45. 8.4: Exercise Questions
  46. 9: Calculating Bond Dissociation Enthalpy and Analyzing the Radical Chlorination of Norbornane
  47. 9.1: Overview
  48. 9.2: Background
  49. 9.3: Computational Instructions
  50. 9.4: Exercise Questions
  51. 10: Examining the Synthesis of Naturally Occurring Cyclobutane Compounds
  52. 10.1: Overview
  53. 10.2: Background
  54. 10.3: Computational Instructions
  55. 10.4: Exercise Questions
  56. 11: Examining the Energetics of Selectivity in Electrophilic Aromatic Substitution
  57. 11.1: Overview
  58. 11.2: Background
  59. 11.3: Computation Assignment and Exercise Questions
  60. 12: Measuring the influence of ring strain in ether substitution
  61. 12.1: Overview
  62. 12.2: Background
  63. 12.3: Computational Instructions
  64. 12.4: Exercise Questions
  65. Back Matter
  66. Detailed Licensing