Theoretical investigations of molecules composed only of fluorine, oxygen and nitrogen: determination of the equilibrium structures of FOOF, (NO)2 and FNNF and the transition state structure for FNNF cis-trans isomerization Timothy J. LeeJulia E. RiceHenry F. Schaefer III OriginalPaper Pages: 81 - 98
A theoretical study of structure and bonding of chlorinated silaethanes and 1,3-disilapropanes Heinz SchifferReinhart Ahlrichs OriginalPaper Pages: 99 - 110
Configuration-interaction energy derivatives in a fully variational formulation Trygve HelgakerPoul Jørgensen OriginalPaper Pages: 111 - 127
Perturbative corrections to basis incompleteness in molecular SCF calculations Carl S. EwigLidia Smentek-MielczarekB. Andes Hess Jr. OriginalPaper Pages: 129 - 141
A comparison of the on-top dissociation of H2 on Ni(100) and Cu(100) Per SiegbahnMargareta BlombergUlf Wahlgren OriginalPaper Pages: 143 - 159