1881. Sumit Kumar; Partha Biswas; Indu Kaul; Aloke Das, Competition between Hydrogen Bonding and Dispersion Interactions in the Indole···Pyridine Dimer and (Indole)2···Pyridine Trimer Studied in a Supersonic Jet. The Journal of Physical Chemistry A 2011, 115(26), 7461-7472.

1882. Stephan N. Steinmann; Clémence Corminbœuf; Wei Wu; Yirong Mo, Dispersion-Corrected Energy Decomposition Analysis for Intermolecular Interactions Based on the BLW and dDXDM Methods. The Journal of Physical Chemistry A 2011, 115(21), 5467-5477.

1883. Wei Wu; Peifeng Su; Sason Shaik; Philippe C. Hiberty, Classical Valence Bond Approach by Modern Methods. Chemical Reviews 2011, 111(11), 7557-7593.

1884. Yirong Mo; Peng Bao; Jiali Gao, Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory. Physical Chemistry Chemical Physics 2011, 13(15), 6760-6760.

1885. Jonathan Romero; Andrés Reyes; Jorge David; Albeiro Restrepo, Understanding microsolvation of Li+: structural and energetical analyses. Physical Chemistry Chemical Physics 2011, 13(33), 15264-15264.

1886. Bridget L. Durfey; Thomas M. Gilbert, Computational Studies of Lewis Acidities of Tris(fluorophenyl)-Substituted Boranes: An Additive Relationship between Lewis Acidity and Fluorine Position. Inorganic Chemistry 2011, 50(16), 7871-7879.

1887. Peifeng Su; Jifang Wu; Junjing Gu; Wei Wu; Sason Shaik; Philippe C. Hiberty, Bonding Conundrums in the C2 Molecule: A Valence Bond Study. Journal of Chemical Theory and Computation 2010, 7(1), 121-130.

1888. Yu Lan; K. N. Houk, Mechanism and Stereoselectivity of the Stepwise 1,3-Dipolar Cycloadditions between a Thiocarbonyl Ylide and Electron-Deficient Dipolarophiles: A Computational Investigation. Journal of the American Chemical Society 2010, 132(50), 17921-17927.

1889. Yirong Mo; Philippe C. Hiberty; Paul von Ragué Schleyer, How to properly compute the resonance energy within the ab initio valence bond theory: a response to the ZHJVL paper. Theoretical Chemistry Accounts 2010, 127(1-2), 27-38.

1890. Xiulin An; Bo Jing; Qingzhong Li, Novel Halogen-Bonded Complexes H3NBH3···XY (XY = ClF, ClCl, BrF, BrCl, and BrBr): Partially Covalent Character. The Journal of Physical Chemistry A 2010, 114(22), 6438-6443.

1891. Yirong Mo, A Critical Analysis on the Rotation Barriers in Butane. The Journal of Organic Chemistry 2010, 75(8), 2733-2736.

1892. Patrick Cassam‐Chenaï; Vitaly A. Rassolov, The electronic mean field configuration interaction method: III – the p-orthogonality constraint. Chemical Physics Letters 2010, 487(1-3), 147-152.

1893. Alessandro Cembran; Peng Bao; Yingjie Wang; Lingchun Song; Donald G. Truhlar; Jiali Gao, On the Interfragment Exchange in the X-Pol Method. Journal of Chemical Theory and Computation 2010, 6(8), 2469-2476.

1894. Sason Shaik, Valence bond all the way: From the degenerate H-exchange to cytochrome P450. Physical Chemistry Chemical Physics 2010, 12(31), 8706-8706.

1895. Lucas C. Ducati; Rogério Custódio; Roberto Rittner, Exploring the G3 method in the study of rotational barrier of some simple molecules. International Journal of Quantum Chemistry 2010, 110(11), 2006-2014.

1896. Qingzhong Li; Bo Jing; Zhenbo Liu; Wenzuo Li; Jianbo Cheng; Baoan Gong; Jiazhong Sun, Surprising enhancing effect of methyl group on the strength of O⋯XF and S⋯XF (X=Cl and Br) halogen bonds. The Journal of Chemical Physics 2010, 133(11).

1897. Alessandro Cembran; Peng Bao; Yingjie Wang; Lingchun Song; Donald G. Truhlar; Jiali Gao, On the Interfragment Exchange in the X-Pol Method. Journal of Chemical Theory and Computation 2010, 6(8), 2469-2476.

1898. Jiali Gao; Alessandro Cembran; Yirong Mo, Generalized X-Pol Theory and Charge Delocalization States. Journal of Chemical Theory and Computation 2010, 6(8), 2402-2410.

1899. Alessandro Cembran; Apirak Payaka; Yen-lin Lin; Wangshen Xie; Yirong Mo; Lingchun Song; Jiali Gao, A Non-Orthogonal Block-Localized Effective Hamiltonian Approach for Chemical and Enzymatic Reactions. Journal of Chemical Theory and Computation 2010, 6(7), 2242-2251.

1900. Qingzhong Li; Bo Jing; Zhenbo Liu; Wenzuo Li; Jianbo Cheng; Baoan Gong; Jiazhong Sun, Comparative study of XO···ClF and XS···ClF (X = H, CH3, and F) halogen‐bonded complexes. International Journal of Quantum Chemistry 2010, 111(14), 3856-3863.