Nguồn ngoài
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.
- Tác giả
- Nicholas Boaz and Orion Pearce
- Nhà xuất bản
- North Central College
- Nguồn
- LibreTexts
- Giấy phép
- CC BY-NC-SA
- Ngôn ngữ
- EN
- Danh mục
- Khoa học cơ bản
Mục lục· 59 mục
- 01: Introduction to Avogadro
- 1.01: Overview
- 1.02: Background
- 1.03: Computational Instructions
- 1.04: Exercise Questions
- 02: Bond Lengths and Resonance
- 2.01: Overview
- 2.02: Background
- 2.03: Computational Instructions
- 2.04: Exercise Questions
- 03: Visualizing Molecular Orbitals with Avogadro and Orca
- 3.01: Overview
- 3.02: Background
- 3.03: Computational Instructions
- 3.04: Exercise Questions
- 04: Measuring Equilibrium on Cyclohexane Chair Structures
- 4.01: Overview
- 4.02: Background
- 4.03: Computational Instructions
- 4.04: Exercise Questions
- 05: Computing and Visualizing Infrared Spectra of Organic Molecules
- 5.01: Overview
- 5.02: Background
- 5.03: Computational Instructions
- 5.04: Exercise Questions
- 06: Manipulating of Molecules in Three Dimensions
- 6.01: Overview
- 6.02: Background
- 6.03: Computational Instructions
- 6.04: Exercise Questions
- 07: Thermodynamics Kinetics and the Reaction Coordinate Diagram
- 7.01: Overview
- 7.02: Background
- 7.03: Computational Instructions
- 7.04: Exercise Questions
- 08: Understanding the Effect of Solvation on E2 Reactions
- 8.01: Overview
- 8.02: Background
- 8.03: Computational Instructions
- 8.04: Exercise Questions
- 09: Calculating Bond Dissociation Enthalpy and Analyzing the Radical Chlorination of Norbornane
- 9.01: Overview
- 9.02: Background
- 9.03: Computational Instructions
- 9.04: Exercise Questions
- 10: Examining the Synthesis of Naturally Occurring Cyclobutane Compounds
- 10.01: Overview
- 10.02: Background
- 10.03: Computational Instructions
- 10.04: Exercise Questions
- 11: Examining the Energetics of Selectivity in Electrophilic Aromatic Substitution
- 11.01: Overview
- 11.02: Background
- 11.03: Exercise Questions
- 12: Measuring the influence of ring strain in ether substitution
- 12.01: Overview
- 12.02: Background
- 12.03: Computational Instructions
- 12.04: Exercise Questions