Metals in biology: Electronic structure, properties and charge transfer for copper complexes of glyoxal and dithiene A. Henriksson-EnfloH. Holmgren OriginalPaper Pages: 247 - 266
On the use of smalld-spaces in SCF and CI calculations on transition metals U. WahlgrenP. E. M. Siegbahn OriginalPaper Pages: 267 - 275
The activation of the C-H bond in acetylene by second row transition metal atoms P. E. M. Siegbahn OriginalPaper Pages: 277 - 292
Simple non-empirical calculations of the zero-field splitting in bis(aquo) bis(malonato) nickel(II) C. RibbingM. OdeliusL. Pettersson OriginalPaper Pages: 307 - 312
The polarisability of Hg and the ground-state interaction potential of Hg2 P. SchwerdtfegerJ. LiP. Pyykkö OriginalPaper Pages: 313 - 320
On the dimerization process of nitroso compounds W. LüttkeP. N. SkanckeM. Traetteberg OriginalPaper Pages: 321 - 333
The phosphorescence of benzene obtained byab initio and semi-empirical calculations S. KnutsB. F. MinaevO. Vahtras OriginalPaper Pages: 343 - 371
RECP calculations for reactions of H2 with Pt, Os, Ir, and Re — a systematic comparison O. GropenM. SjøvollK. Fægri Jr OriginalPaper Pages: 373 - 385
Theoretical study of the electronic spectra ofcis-1,3,5-hexatriene andcis-1,3-butadiene L. Serrano-AndrésB. O. RoosM. Merchán OriginalPaper Pages: 387 - 402
The excited states of pyrazine: A basis set study M. P. FülscherB. O. Roos OriginalPaper Pages: 403 - 413