Cation-binding to biomolecules David PerahiaAlberte PullmanBernard Pullman Original Investigations Pages: 207 - 214
The linear combination of localized orbitals methods (LCLO) for polymers Joseph DelhalleJean -Marie AndréDaniel Peeters Original Investigations Pages: 215 - 225
Efficient multipole expansion: Choice of order and density partitioning techniques Mihaly MezeiEdwin S. Campbell Original Investigations Pages: 227 - 237
Quantum mechanical approach to the chemisorption of molecular hydrogen on defect magnesium oxide surfaces Jean -Marie AndréEric G. DerouaneDaniel P. Vercauteren Original Investigations Pages: 239 - 251
The n→π* optical activity of chiral carbonyl compounds predicted to be optically inactive by the octant rule Chin -yah YehFrederick S. Richardson Original Investigations Pages: 253 - 260
On the calculation of multiplet energies by the hartree-fock-slater method Tom ZieglerArvi RaukEvert J. Baerends Original Investigations Pages: 261 - 271
Spin-orbit coupling in chelates with conjugated ligands Milan Král Original Investigations Pages: 273 - 276
Ab initio Calculation of the charge distribution and the ligand field splitting in the tetrahedral halo complexes CuCl 4 2− 4 and NiCl 4 2− Tonnis J. M. SmitCornelis HaasWillem C. Nieuwpoort Original Investigations Pages: 277 - 286