Diabatic ordering of vibrational normal modes in reaction valley studies. - Zoran Konkoli; Dieter Cremer; Elfi Kraka (J. Comput. Chem., 1997)

The para-didehydropyridine, para-didehydropyridinium, and related biradicals - a contribution to the chemistry of enediyne antitumor drugs. - Elfi Kraka; Dieter Cremer (J. Comput. Chem., 2001)

Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bond. - Elfi Kraka; Dani Setiawan; Dieter Cremer (J. Comput. Chem., 2016)

Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity. - Yunwen Tao; Wenli Zou; Dieter Cremer; Elfi Kraka (J. Comput. Chem., 2018)