1. A Through Space/Bond Interaction Analysis on the Shape of Band Structure of Polynitrilomethylidyne, Y. Aoki, A. Imamura, and H. Teramae, Bull. Chem. Soc. Jpn., 58, 2737-2745 (1985).

2. A Through Space/Bond Interaction Analysis of the Shape of the Band Structure of Polyacetylene, Y. Aoki, A. Imamura, and T. Sasaki, Bull. Chem. Soc. Jpn., 61, 1063-1070 (1988).

3. A Study using a Through Space/Bond Interaction Analysis for the Band Structures of Substituted Polyacetylene-Be Systems, S. Hayashi, Y. Aoki, and A. Imamura, Synthetic Metals, 36, 1-25 (1990).

4. Ab Initio Through Space/Bond Interaction Analysis on the Stereoelectronic Effect by Modifying the Exponents of the Basis Set, A. Imamura, H. Sugiyama, Y. Orimoto and Y. Aoki, Int. J. Quantum Chem., 74, 761-768(1999).
   (アミノメタノールにおける立体電子効果の解析)

5. Ab Initio Through-Space/Bond-Interaction Analysis of the　Long C-C Bonds in Bi(Anthracene-9,10-Dimethylene) photoisomers, Y. Orimoto and Y. Aoki, Int. J. Quantum Chem., 86, 456-467(2002).
   (高ひずみ化合物にみられる異常結合長の解析)

6. Pure Through-Bond State in Organic Molecules for Analysis of the Relationship Between Intramolecular Interactions and Total Energy, Y. Orimoto and Y. Aoki, Int. J. Quantum Chem., 92, 355-366 (2003).
   (エタンの回転障壁の解析)

7. Enhanced hyperpolarizability via electron correlations in donor-sigma-acceptor systems, 　 Y. Orimoto and Y. Aoki, Phys. Rev. A, 68, 063808 1-6(2003).
   (両性イオンにみられる電子相関効果による超分極率β増大問題の解析)

8. 特開２００５－２４２５６３、科学技術振興機構、青木、折本、今村
   「分子軌道演算装置、該方法、該プログラム及び記録媒体」