821. Nakashima, K.; Zhang, X.; Xiang, M.; Lin, Y.; Lin, M.; Mo, Y, BLOCK-LOCALIZED WAVEFUNCTION ENERGY DECOMPOSITION (BLW-ED) ANALYSIS OF sigma/pi INTERACTIONS IN METAL-CARBONYL BONDING. Journal of Theoretical & Computational Chemistry 2008, 7(4), 639-654.

822. Li, J.; Duke, B. J.; Klapoetke, T. M.; McWeeny, R, SPIN DENSITY OF SPIN-FREE VALENCE BOND WAVE FUNCTIONS AND ITS IMPLEMENTATION IN VB2000. Journal of Theoretical & Computational Chemistry 2008, 7(4), 853-867.

823. Gu, J.; Lin, Y.; Ma, B.; Wu, W.; Shaik, S, Covalent Excited States of Polyenes C2nH2n+2 (n=2-8) and Polyenyl Radicals C2n-1H2n+1 (n=2-8): An Ab Initio Valence Bond Study. Journal of Chemical Theory and Computation 2008, 4(12), 2101-2107.

824. Domin, D.; Braida, B.; Lester, W. A, Jr., Breathing orbital valence bond method in diffusion Monte Carlo: C-H bond dissociation of acetylene. Journal of Physical Chemistry A 2008, 112(38), 8964-8969.

825. Chen, Z.; Song, J.; Song, L.; Wu, W, A VALENCE BOND APPROACH BASED ON LEWIS STRUCTURES. Journal of Theoretical & Computational Chemistry 2008, 7(4), 655-668.

826. Braida, B.; Hiberty, P. C, Application of the Valence Bond Mixing Configuration Diagrams to Hypervalency in Trihalide Anions: A Challenge to the Rundle-Pimentel Model. Journal of Physical Chemistry A 2008, 112(50), 13045-13052.

827. Braida, B.; Bundhoo, D.; Engels, B.; Hiberty, P. C, Testing the validity of the conventional resonance model for protonated carbonyl, imine and thiocarbonyl compounds. An ab initio valence bond study. Organic Letters 2008, 10(10), 1951-1954.

828. Truhlar, D. G, Valence bond theory for chemical dynamics. Journal of Computational Chemistry 2007, 28(1), 73-86.

829. Su, P.; Ying, F.; Wu, W.; Hiberty, P. C.; Shaik, S, The Menshutkin reaction in the gas phase and in aqueous solution: A valence bond study. Chemphyschem 2007, 8(18), 2603-2614.

830. Mo, Y.; Song, L.; Lin, Y, Block-localized wavefunction (BLW) method at the density functional theory (DFT) level. Journal of Physical Chemistry A 2007, 111(34), 8291-8301.

831. Mo, Y, Two-state model based on the block-localized wave function method. Journal of Chemical Physics 2007, 126(22).

832. Linares, M.; Braida, B.; Humbel, S, Valence bond approach of metal-ligand bonding in the Dewar-Chatt-Duncanson model. Inorganic Chemistry 2007, 46(26), 11390-11396.

833. Hiberty, P. C.; Shaik, S, A survey of recent developments in ab initio valence bond theory. Journal of Computational Chemistry 2007, 28(1), 137-151.

834. Hiberty, P. C.; Ramozzi, R.; Song, L.; Wu, W.; Shaik, S, The physical origin of large covalent-ionic resonance energies in some two-electron bonds. Faraday Discussions 2007. 261-272.

835. Song, L.; Wu, W.; Hiberty, P. C.; Shaik, S, Identity S(N)2 reactions X-+CH3X -> XCH3+X-(X=F,Cl,Br, and I) in vacuum and in aqueous solution: A valence bond study. Chemistry-a European Journal 2006, 12(28), 7458-7466.

836. Mo, Y. R.; Schleyer, P. V, An energetic measure of aromaticity and antiaromaticity based on the Pauling-Wheland resonance energies. Chemistry-a European Journal 2006, 12(7), 2009-2020.

837. Mo, Y. R, Intramolecular electron transfer: Computational study based on the orbital deletion procedure (ODP). Current Organic Chemistry 2006, 10(7), 779-790.

838. Linares, M.; Braida, B.; Humbel, S, Lewis-based valence bond scheme: Application to the allyl cation. Journal of Physical Chemistry A 2006, 110(7), 2505-2509.

839. Wu, W.; Shaik, S.; Saunders, W. H, Valence bond calculations on the transition state for the E2 reaction of fluoride ion with ethyl fluoride - Implications for the More O'Ferrall-Jencks diagram. Canadian Journal of Chemistry 2005, 83(9), 1649-1653.

840. Song, L. C.; Liu, M. H.; Wu, W.; Zhang, Q.; Mo, Y. R, Origins of rotational barriers in hydrogen peroxide and hydrazine. Journal of Chemical Theory and Computation 2005, 1(3), 394-402.