介紹量子理論基本假定，模擬計算原子與分子結構與性質，化學反應能的計算和實驗結果的比較，原子和分子光譜。 通過學習與運用數學，物理和化學等領域的知識，以及電腦操作技巧，培養和增強學生觀察，分析，解決問題的能力。

1. "Physical Chemistry: Quanta, Matter, and Change," 2nd Edition,
by Peter Atkins, Julio de Paula, and Ronald Friedman, Oxford University Press, 2013, Chapter 1~6;

Or "Physical Chemistry," Twelfth Edition,
by Peter Atkins, Julio de Paula, and James Keeler, Oxford University Press, 2022, Chapters 7 ~12.
2. "Physical Chemistry," 3rd Edition,
by Thomas Engel, and Philip Reid, Pearson, 2006.

3. "Physical Chemistry," 3rd Edition,
by Robert G. Mortimer, Academic Press, 2008.