01. Supramolecular Interactions between Fullerenes and Porphyrins
      Yi-Bo Wang and Zhenyang Lin，
      J. Am. Chem. Soc., Comm. 125, 6072-6074, 2003
02. The Nature of the Noncovalent Interactions between Benzene and C60 Fullerene
       Ming-Ming Li, Yi-Bo Wang, Yu Zhang and Weizhou Wang
      Journal of Physical Chemistry, 120(28), 5766-5772, 2016
03. Noncovalent π•••π interaction between graphene and aromatic molecule: Structure, energy,
      and nature
      Weizhou Wang, Yu Zhang and Yi-Bo Wang
      The Journal of Chemical Physics, 140, 094302, 2014
04. The benzene ... naphthalene complex: A more challenging system than the benzene dimer
      for newly developed computational methods
      Weizhou Wang, Tao Sun, Yu Zhang and Yi-Bo Wang
      Journal of Chemical Physics, 143(11), 114312, 2015
05. Benchmark calculations of the adsorption of aromatic molecules on graphene
      Weizhou Wang, Tao Sun, Yu Zhang and Yi-Bo Wang
      Journal of Computational Chemistry, 36(23), 1763-1771, 2015
06. 高级量子化学从头计算法研究H2S和H2O分子间相互作用
      王一波， 中国科学 B辑 25(7), 673-682, 1995
07. 氢键的精确从头计算方法及其用于HF、H2O和NH3分子间氢键研究
      王一波、陶福明、潘毓刚，  中国科学 B辑 25(10), 1016-1025, 1995
08. 量子化学从头计算法研究C60的分子静电势
      王一波， 科学通报 40(2), 131-134, 1995
09. 量子化学从头计算法研究C120的分子静电势
      王一波， 科学通报 41(2), 190-191 , 1996
10. 量子化学从头计算法研究C70的分子静电势
      王一波，  科学通报 42(1), 41-44, 1997