1. Accurate thermochemistry from corrected Hartree–Fock results: rapid estimation of nearly experimental quality total energy using the small 6-31G(d) basis set

   • Sándor Kristyán
   • Adrienn Ruzsinszky
   • Gábor I. Csonka

   Regular article Pages: 319 - 328

2. Model studies of the chemisorption of hydrogen and oxygen on the Au (1 0 0) surface

   • H. Strømsnes
   • S. Jusuf
   • U. Wahlgren

   Regular article Pages: 329 - 338

3. Identification of deadwood in configuration spaces through general direct configuration interaction

   • Joseph Ivanic
   • Klaus Ruedenberg

   Regular article Pages: 339 - 351

4. Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues

   • Zhongfang Chen
   • Haijun Jiao
   • Walter Thiel

   Regular article Pages: 352 - 363

5. Endohedral chemical shifts in higher fullerenes with 72–86 carbon atoms

   • Zhongfang Chen
   • Jerzy Cioslowski
   • Walter Thiel

   Regular article Pages: 364 - 368

6. Simultaneous calculation of Rydberg and valence excited states of formaldehyde

   • Thomas Müller
   • Hans Lischka

   Regular article Pages: 369 - 378