Stabilization of diazene in Fe(II)–sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies Markus ReiherDieter SellmannBernd Artur Hess Regular article Pages: 379 - 392
Ab initio study of bonding trends for f0 actinide oxyfluoride species Michal StrakaKenneth G. DyallPekka Pyykkö Regular article Pages: 393 - 403
The performance of the rapid estimation of basis set error and correlation energy from partial charges method on new molecules of the G3/99 test set Sándor KristyánAdrienn RuzsinszkyGábor I. Csonka Regular article Pages: 404 - 411
Comparison of magnetic and thermal properties of prismane and double-cubane [Fe6S6]4+ superclusters M. CzerwiñskiM. Matusiewicz Regular article Pages: 412 - 425
Modeling the H5+ potential-energy surface: a first attempt Rita ProsmitiAlexei A. BuchachenkoGerardo Delgado-Barrio Regular article Pages: 426 - 433
Molecular Schrödinger–Riccati calculations. Test for the hydrogen-ion molecule S. FragaJ. M. García de la VegaE. S. Fraga Regular article Pages: 434 - 438