A comparative QCISD(T), DFT and MCSCF study of the unimolecular, decomposition of the N-chloro-α-glycine anion in gas phase J. J. QueraltV. S. SafontJ. Andrés OriginalPaper Pages: 247 - 256
Analytical form of the interaction energy of radicals at short and long distances Marek NarożnikJan Niedzielski OriginalPaper Pages: 257 - 269
Energy levels of the weakly interacting radicals Marek NaroznikJan Niedzielski OriginalPaper Pages: 271 - 285
Multipole-based calculation of the polarization energy John B. O. Mitchell OriginalPaper Pages: 287 - 295
DFT and MO calculations of atomic and molecular chemisorption energies on surface cluster models Luciano TrigueroUlf WahlgrenPer Siegbahn OriginalPaper Pages: 297 - 310