1. Theoretical study on the potential energy surface of NC₃P isomers

   • Hui-ling Liu
   • Xu-ri Huang
   • Chia-chung Sun

   Regular Article 21 August 2007 Pages: 739 - 754

2. Gradient incorporation in one-dimensional applications of interpolating moving least-squares methods for fitting potential energy surfaces

   • Igor V. Tokmakov
   • Albert F. Wagner
   • Donald L. Thompson

   Regular Article 21 June 2007 Pages: 755 - 767

3. Can the MaxFlux algorithm describe bifurcating paths?

   • Aurora Jiménez
   • Ramon Crehuet

   Regular Article 16 June 2007 Pages: 769 - 775

4. The performance of the Hartree–Fock–Wigner correlation model for light diatomic molecules

   • Rebecca Fondermann
   • Michael Hanrath
   • Michael Dolg

   Regular Article 06 July 2007 Pages: 777 - 783

5. 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

6. Metal–metal bonding in Re₂Cl ₈ ^(2-) from the analysis of domain averaged fermi holes

   • Robert Ponec
   • Gleb Yuzhakov

   Regular Article 01 June 2007 Pages: 791 - 797

7. 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

8. A comparison between the absorption properties of the regular and F _s -defected MgO (100) surface

   • Giovanni Barcaro
   • Mauro Causà
   • Alessandro Fortunelli

   Regular Article 01 June 2007 Pages: 807 - 812

9. Symmetry numbers and chemical reaction rates

   • Antonio Fernández-Ramos
   • Benjamin A. Ellingson
   • Donald G. Truhlar

   Regular Article Open access 11 July 2007 Pages: 813 - 826