Accurate thermochemistry from corrected Hartree–Fock results: rapid estimation of nearly experimental quality total energy using the small 6-31G(d) basis set Sándor KristyánAdrienn RuzsinszkyGábor I. Csonka Regular article Pages: 319 - 328
Model studies of the chemisorption of hydrogen and oxygen on the Au (1 0 0) surface H. StrømsnesS. JusufU. Wahlgren Regular article Pages: 329 - 338
Identification of deadwood in configuration spaces through general direct configuration interaction Joseph IvanicKlaus Ruedenberg Regular article Pages: 339 - 351
Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues Zhongfang ChenHaijun JiaoWalter Thiel Regular article Pages: 352 - 363
Endohedral chemical shifts in higher fullerenes with 72–86 carbon atoms Zhongfang ChenJerzy CioslowskiWalter Thiel Regular article Pages: 364 - 368
Simultaneous calculation of Rydberg and valence excited states of formaldehyde Thomas MüllerHans Lischka Regular article Pages: 369 - 378