Theoretical study on the potential energy surface of NC3P isomers Hui-ling LiuXu-ri HuangChia-chung Sun Regular Article 21 August 2007 Pages: 739 - 754
Gradient incorporation in one-dimensional applications of interpolating moving least-squares methods for fitting potential energy surfaces Igor V. TokmakovAlbert F. WagnerDonald L. Thompson Regular Article 21 June 2007 Pages: 755 - 767
Can the MaxFlux algorithm describe bifurcating paths? Aurora JiménezRamon Crehuet Regular Article 16 June 2007 Pages: 769 - 775
The performance of the Hartree–Fock–Wigner correlation model for light diatomic molecules Rebecca FondermannMichael HanrathMichael Dolg Regular Article 06 July 2007 Pages: 777 - 783
A practical scheme for ab initio determination of a crystal structure based on the Dirac equation Hasan Karabıyık Regular Article 10 May 2007 Pages: 785 - 790
Metal–metal bonding in Re2Cl 8 (2-) from the analysis of domain averaged fermi holes Robert PonecGleb Yuzhakov Regular Article 01 June 2007 Pages: 791 - 797
Additional peaks in the cluster size distribution of amphiphile + water systems: a clue for shape/phase transition or statistical uncertainty Reza Behjatmanesh-Ardakani Regular Article 01 June 2007 Pages: 799 - 805
A comparison between the absorption properties of the regular and F s -defected MgO (100) surface Giovanni BarcaroMauro CausàAlessandro Fortunelli Regular Article 01 June 2007 Pages: 807 - 812
Symmetry numbers and chemical reaction rates Antonio Fernández-RamosBenjamin A. EllingsonDonald G. Truhlar Regular Article Open access 11 July 2007 Pages: 813 - 826
