Molecular orbital calculations for iodine complexes: C2H4·I2 and C6H6·I2 Issam Jano OriginalPaper Pages: 341 - 353
Application of molecular models to electronic structure calculations of defects in oxide crystals. I. Parametrization of the modified INDO method Alexander Shluger OriginalPaper Pages: 355 - 363
An empirical scheme for evaluating in situ bond energy from MNDO data Chen Zhixing OriginalPaper Pages: 365 - 373
A pseudopotential study of the hydrogen bond in H2O·H2S, H2S·H2S and H2O·H2Se systems Andrzej Leś OriginalPaper Pages: 375 - 393
Effects of fluorine substitution in the catechole ring. An ab-initio MO theoretical study M. HodoscekT. Šolmajer OriginalPaper Pages: 395 - 403
Study of nonadiabatic effects in the Li-Li 2 + system. Location of nonadiabatic regions Jan VojtíkAlena KrtkováRudolf Polák OriginalPaper Pages: 405 - 414