81. Mo, Y.; Song, L.; Wu, W.; Zhang, Q., Charge Transfer in the Electron Donor-Acceptor Complex BH3NH3. J. Am. Chem. Soc. 2004, 126, 3974-3982.
80. Song, L.; Wu, W.; Zhang, Q.; Shaik, S., VBPCM: A Valence Bond Method that Incorporates a Polarizable Continuum Model. J. Phys. Chem. A. 2004, 108, 6017-6024.
79. Wu, W.; Song, L.; Zhang, Q.; Shaik, S., VBCI: A Valence Bond Configuration Interaction Method that Includes Dynamic Correlation. Encyclopedia of Computational Chemistry, Vol 5 (Eds.: P. v . R. Schleyer, N .L. Allinger, T. Clark, J. Gasteiger, H. F. Schaefer, P. R. Schreiner), Wiley-VCH, Chichester, 2004.
78. Su, P.; Song, L.; Wu, W.; Hiberty, P. C.; Shaik, S., Valence Bond Calculations of Hydrogen Transfer Reactions: A General Predictive Pattern Derived from Theory. J. Am. Chem. Soc. 2004, 126, 13539-13549.
77. Luo, Y.; Song, L.; Wu, W.; Danovich, D.; Shaik, S., The Ground and Excited States of Polyenyl Radicals C2n-1H2n+1 (n = 2-13): A Valence Bond Study. ChemPhysChem 2004, 5, 515-528.
76. Mo, Y.; Wu, W.; Song, L.; Lin, M.; Zhang, Q.; Gao, J., The Magnitude of Hyperconjugation in Ethane: a Perspective from ab initio Valence Bond Theory. Angew. Chem. Int. Ed. 2004, 43, 1986-1990; Andew. Chem. 2004,116, 2020-2024.
75. Zhang, L.; Wu, W.; Mo, Y.; Zhang, Q., Applications of Graphic Method to C20, C60 and Achiral Single-Wall Nanotubes. Int. J. Quantum Chem. 2004, 98, 51-58.
74. Song, L.; Wu, W.; Zhang, Q.; Shaik, S., A Practical Valence Bond Method: a Configuration Interaction Method Approach with Perturbation Theoretic Facility. J. Comput. Chem. 2004, 25, 472-478.