1. A derivation of the frozen-orbital unrestricted open-shell and restricted closed-shell second-order perturbation theory analytic gradient expressions

   • Christine M. Aikens
   • Simon P. Webb
   • Mark S. Gordon

   OriginalPaper 07 October 2003 Pages: 233 - 253

2. Towards a ‘‘next generation’’ neglect of diatomic differential overlap based semiempirical molecular orbital technique

   • Paul Winget
   • Cenk Selçuki
   • Timothy Clark

   OriginalPaper 20 October 2003 Pages: 254 - 266

3. Generalized Christoffel–Darboux formulae and the frontier Kohn–Sham molecular orbitals

   • Paul W. Ayers

   OriginalPaper 21 August 2003 Pages: 267 - 275

4. A study with a complete-active-space self-consistent-field plus density functional theory combination: The low-lying bound states of N₂

   • E. San-Fabián
   • L. Pastor-Abia

   OriginalPaper 07 October 2003 Pages: 276 - 283

5. Resistance distance and Laplacian spectrum

   • Wenjun Xiao
   • Ivan Gutman

   OriginalPaper 16 September 2003 Pages: 284 - 289