1901. David Danovich; Sason Shaik, Bound Triplet Pairs in the Highest Spin States of Coinage Metal Clusters. Journal of Chemical Theory and Computation 2010, 6(5), 1479-1489.

1902. 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).

1903. 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.

1904. Yiming Chen; Hui Li, Intermolecular Interaction in Water Hexamer. The Journal of Physical Chemistry A 2010, 114(43), 11719-11724.

1905. 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.

1906. Yirong Mo, Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect. Nature Chemistry 2010, 2(8), 666-671.

1907. Mahesh Kumar Ravva; M. Elango; V. Subramanian, Carbohydrate-Aromatic Interactions: The Role of Curvature on XH···π Interactions. The Journal of Physical Chemistry A 2010, 114(12), 4313-4324.

1908. 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.

1909. Wei Wu; Ben Ma; Judy I. Wu; Paul von Ragué Schleyer; Yirong Mo, Is Cyclopropane Really the σ‐Aromatic Paradigm?. Chemistry - A European Journal 2009, 15(38), 9730-9736.

1910. Zhenhua Chen; Jinshuai Song; Sason Shaik; Philippe C. Hiberty; Wei Wu, Valence Bond Perturbation Theory. A Valence Bond Method That Incorporates Perturbation Theory. The Journal of Physical Chemistry A 2009, 113(43), 11560-11569.

1911. Sason Shaik; Zhenhua Chen; Wei Wu; Amnon Stanger; David Danovich; Philippe C. Hiberty, An Excursion from Normal to Inverted CC Bonds Shows a Clear Demarcation between Covalent and Charge‐Shift CC Bonds. ChemPhysChem 2009, 10(15), 2658-2669.

1912. Peifeng Su; Hui Li, Energy decomposition analysis of covalent bonds and intermolecular interactions. The Journal of Chemical Physics 2009, 131(1).

1913. Rosendo Valero; Lingchun Song; Jiali Gao; Donald G. Truhlar, Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase SN2 Reaction of Acetate Ion with 1,2-Dichloroethane. Journal of Chemical Theory and Computation 2009, 5(8), 2191-2191.

1914. Qin Wu; Paul W. Ayers; Yingkai Zhang, Density-based energy decomposition analysis for intermolecular interactions with variationally determined intermediate state energies. The Journal of Chemical Physics 2009, 131(16).

1915. Benoı̂t Braı̈da; Vinca Prana; Philippe C. Hiberty, The Physical Origin of Saytzeff’s Rule. Angewandte Chemie International Edition 2009, 48(31), 5724-5728.

1916. Alexandra Fersner; Joel M. Karty; Yirong Mo, Why Are Esters and Amides Weaker Carbon Acids than Ketones and Acid Fluorides? Contributions by Resonance and Inductive Effects. The Journal of Organic Chemistry 2009, 74(19), 7245-7253.

1917. Hai‐Yan Wei; David A. Hrovat; Yirong Mo; Roald Hoffmann; Weston Thatcher Borden, The Contributions of Through-Bond Interactions to the Singlet−Triplet Energy Difference in 1,3-Dehydrobenzene. The Journal of Physical Chemistry A 2009, 113(38), 10351-10358.

1918. Michael E. Foster; Karl Sohlberg, Empirically corrected DFT and semi-empirical methods for non-bonding interactions. Physical Chemistry Chemical Physics 2009, 12(2), 307-322.

1919. Benoı̂t Braı̈da; Philippe C. Hiberty, Explicit solvation effects on the conventional resonance model for protonated imine, carbonyl, and thiocarbonyl compounds. International Journal of Quantum Chemistry 2009, 110(3), 571-577.

1920. Zhenhua Chen; Qianer Zhang; Wei Wu, A new algorithm for inactive orbital optimization in valence bond theory. Science in China Series B Chemistry 2009, 52(11), 1879-1884.