1421. 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.

1422. P. Deepa; P. Kolandaivel; K. Senthilkumar, Hydrogen-bonding studies of amino acid side-chains with DNA base pairs. Molecular Physics 2011, 109(16), 1995-2008.

1423. Benoı̂t Braı̈da; Julien Toulouse; Michel Caffarel; C. J. Umrigar, Quantum Monte Carlo with Jastrow-valence-bond wave functions. The Journal of Chemical Physics 2011, 134(8).

1424. Dejun Si; Hui Li, Analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculation. The Journal of Chemical Physics 2011, 135(14).

1425. Dmitri G. Fedorov; Kazuo Kitaura, Energy Decomposition Analysis in Solution Based on the Fragment Molecular Orbital Method. The Journal of Physical Chemistry A 2011, 116(1), 704-719.

1426. 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.

1427. Matthew D. Wodrich; William C. McKee; Paul von Ragué Schleyer, On the Advantages of Hydrocarbon Radical Stabilization Energies Based on R−H Bond Dissociation Energies. The Journal of Organic Chemistry 2011, 76(8), 2439-2447.

1428. Wang Ff; Glen R. Jenness; W. A. Al-Saidi; Kenneth D. Jordan, Assessment of the performance of common density functional methods for describing the interaction energies of (H2O)6 clusters. The Journal of Chemical Physics 2010, 132(13).

1429. 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).

1430. 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.

1431. 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.

1432. 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.

1433. Yirong Mo*, Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect. Nature Chemistry 2010, 2(8), 666-671.

1434. Łukasz Rajchel; Piotr S. Żuchowski; M. M. Szczȩśniak; Grzegorz Chałasiński, Derivation of the supermolecular interaction energy from the monomer densities in the density functional theory. Chemical Physics Letters 2010, 486(4-6), 160-165.

1435. Benoı̂t Braı̈da; Christof Walter; Bernd Engels; Philippe C. Hiberty, A Clear Correlation between the Diradical Character of 1,3-Dipoles and Their Reactivity toward Ethylene or Acetylene. Journal of the American Chemical Society 2010, 132(22), 7631-7637.

1436. Roberto Peverati; Marina Macrina; Kim K. Baldridge, Assessment of DFT and DFT-D for Potential Energy Surfaces of Rare Gas Trimers—Implementation and Analysis of Functionals and Extrapolation Procedures. Journal of Chemical Theory and Computation 2010, 6(7), 1951-1965.

1437. 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.

1438. Patrick Cassam-Chenaı̈; Vitaly A. Rassolov, The electronic mean field configuration interaction method: III – the p-orthogonality constraint. Chemical Physics Letters 2010, 487(1-3), 147-152.

1439. 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.

1440. Sason Shaik*, Valence bond all the way: From the degenerate H-exchange to cytochrome P450. Physical Chemistry Chemical Physics 2010, 12(31), 8706-8706.