Implementation of a quantum mechanics/molecular mechanics approach in the parallel density functional program ParaGauss and applications to model copper thiolate clusters T. KerdcharoenU. BirkenheuerN. Rösch OriginalPaper 16 May 2003 Pages: 285 - 297
Similarities and differences in the structure of 3d-metal monocarbides and monoxides Gennady L. GutsevLester AndrewsCharles W. Bauschlicher, Jr. OriginalPaper 20 June 2003 Pages: 298 - 308
Multiple solutions of coupled-cluster doubles equations for the Pariser–Parr–Pople model of benzene Rafał PodeszwaLeszek. Z. StolarczykKrzysztof Rubiniec OriginalPaper 20 May 2003 Pages: 309 - 315
Nature of interaction energy anisotropy in the Li(2S)–HF (˜X1Σ+) van der Waals complex. A theoretical study Vladimır LukešMartina BittererováViliam Laurinc OriginalPaper 20 May 2003 Pages: 316 - 325
Validity of B-splines as a universal basis set for atomic Hartree–Fock–Roothaan calculations Shiro L. Saito OriginalPaper 20 May 2003 Pages: 326 - 331
Why are hexavalent uranium cyanides rare while U–F and U–O bonds are common and short? Michal StrakaMichael PatzschkePekka Pyykkö OriginalPaper 20 May 2003 Pages: 332 - 340
Franz Schwabl (translated from German by Ronald Kates): Quantum mechanics, 3rd edn Sanford Lipsky OriginalPaper 23 May 2003 Pages: 341 - 342