Ab initio studies of crystal field effects. VII. Structure of 2,3-diketopiperazine using a 13-molecule cluster, a calculation involving 1092 basis functionsAnik Peeters; C. Van Alsenoy; A. T. H. Lenstra; H. J. Geise · 1993

Phenylene vinylene oligomers studied by theoretical methods: Joint analysis of computational and x-ray results of the configurational isomers of 1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzeneGuang Wu; S. Jacobs; M. G. Verbruggen; A. T. H. Lenstra; C. van Alsenoy; H. J. Geise; L. van Meervelt · 1996