Growth format, electronic architecture, magnetic, and optical properties of aromatic cyclo-Cu3Au3 homotops. - Constantinos A. Tsipis; Ioannis G. Depastas; Christos E. Kefalidis (J. Comput. Chem., 2007)

Density functional study of structural, electronic, and optical properties of small bimetallic ruthenium-copper clusters. - Efstathios E. Karagiannis; Christos E. Kefalidis; Ioanna Petrakopoulou; Constantinos A. Tsipis (J. Comput. Chem., 2011)

DFT study of the mechanism of hydroamination of ethylene with ammonia catalyzed by diplatinum(II) complexes: Inner- or outer-sphere? - Christos E. Kefalidis; Constantinos A. Tsipis (J. Comput. Chem., 2012)