...
- MOPAC
- Kenichi Fukui, Teijiro Yonezawa, Chikayoshi Nagata: Theory of Substitution in Conjugated Molecules, Bulletin of the Chemical Society of Japan 27(7): 423-427, Chemical Society of Japan, 1954. Frontier electron theory
- Benjamin Tehan, Edward Lloyd, Margaret Wong, Will Pitt, John Montana, David Manallack, Emanuela Gancia: Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids, Quantitative Structure-Activity Relationships 21(5): 457-472, Wiley, 2002.
- Benjamin Tehan, Edward Lloyd, Margaret Wong, Will Pitt, Emanuela Gancia, David Manallack: Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds, Quantitative Structure-Activity Relationships 21(5):473-485}, Wiley, 2002.