1461. 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).

1462. 振华 陈; 玮 吴; 乾二 张, 价键方法中的非活性轨道优化新算法. Science in China Series B-Chemistry (in Chinese) 2009, 39(11), 1424-1429.

1463. Benoı̂t Braı̈da; Vinca Prana; Philippe C. Hiberty, The Physical Origin of Saytzeff’s Rule. Angewandte Chemie 2009, 121(31), 5834-5838.

1464. Dejun Si; Hui Li, Quantum Chemical Calculation of Type-1 Cu Reduction Potential: Ligand Interaction and Solvation Effect. The Journal of Physical Chemistry A 2009, 113(46), 12979-12987.

1465. 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.

1466. 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.

1467. Peifeng Su; Lingchun Song; Wei Wu; Sason Shaik; Philippe C. Hiberty, Heterolytic Bond Dissociation in Water: Why Is It So Easy for C4H9Cl But Not for C3H9SiCl?. The Journal of Physical Chemistry A 2008, 112(13), 2988-2997.

1468. Mathieu Linares; Stéphane Humbel; Benoı̂t Braı̈da, The Nature of Resonance in Allyl Ions and Radical. The Journal of Physical Chemistry A 2008, 112(50), 13249-13255.

1469. Dominik Domin; Benoı̂t Braı̈da; Will Lester, Breathing Orbital Valence Bond Method in Diffusion Monte Carlo: C−H Bond Dissociation of Acetylene. The Journal of Physical Chemistry A 2008, 112(38), 8964-8969.

1470. Lingchun Song; Yirong Mo; Jiali Gao, An Effective Hamiltonian Molecular Orbital-Valence Bond (MOVB) Approach for Chemical Reactions as Applied to the Nucleophilic Substitution Reaction of Hydrosulfide Ion and Chloromethane. Journal of Chemical Theory and Computation 2008, 5(1), 174-185.

1471. Benoı̂t Braı̈da; Philippe C. Hiberty, Application of the Valence Bond Mixing Configuration Diagrams to Hypervalency in Trihalide Anions: A Challenge to the Rundle−Pimentel Model. The Journal of Physical Chemistry A 2008, 112(50), 13045-13052.

1472. Peifeng Su; Wei Wu; Sason Shaik; Philippe C. Hiberty, A Valence Bond Study of the Low‐Lying States of the NF Molecule. ChemPhysChem 2008, 9(10), 1442-1452.

1473. Wei Wu; Junjing Gu; Jinshuai Song; Sason Shaik; Philippe C. Hiberty, The Inverted Bond in [1.1.1]Propellane is a Charge‐Shift Bond. Angewandte Chemie 2008, 121(8), 1435-1438.

1474. Lingchun Song; Jiali Gao, On the Construction of Diabatic and Adiabatic Potential Energy Surfaces Based on Ab Initio Valence Bond Theory. The Journal of Physical Chemistry A 2008, 112(50), 12925-12935.

1475. Peifeng Su; Wei Wu; Casey P. Kelly; Christopher J. Cramer; Donald G. Truhlar, VBSM: A Solvation Model Based on Valence Bond Theory. The Journal of Physical Chemistry A 2008, 112(50), 12761-12768.

1476. Jiabo Li; Brian J. Duke; Thomas M. Klapötke; Roy Mcweeny, SPIN DENSITY OF SPIN-FREE VALENCE BOND WAVE FUNCTIONS AND ITS IMPLEMENTATION IN VB2000. Journal of Theoretical and Computational Chemistry 2008, 07(04), 853-867.

1477. Kazuhito Nakashima; Xin Zhang; Mingli Xiang; Yu‐Chun Lin; Menghai Lin; Yirong Mo*, BLOCK-LOCALIZED WAVEFUNCTION ENERGY DECOMPOSITION (BLW-ED) ANALYSIS OF σ/π INTERACTIONS IN METAL-CARBONYL BONDING. Journal of Theoretical and Computational Chemistry 2008, 07(04), 639-654.

1478. 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 2008, 5(1), 1-22.

1479. Wei Wu; Junjing Gu; Jinshuai Song; Sason Shaik; Philippe C. Hiberty, The Inverted Bond in [1.1.1]Propellane is a Charge‐Shift Bond. Angewandte Chemie International Edition 2008, 48(8), 1407-1410.

1480. Benoı̂t Braı̈da; Dilshaad Bundhoo; Bernd Engels; Philippe C. Hiberty, 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.