Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model study. - Athanassios C. Tsipis; Constantinos A. Tsipis (J. Comput. Chem., 2002)

Design and Development of a Multimedia Educational Tool for Interactive Visualization and Three-Dimensional Perception of Vibrational Spectra Data of Molecules. - Nickolas D. Charistos; Vasilios I. Teberekidis; Constantinos A. Tsipis; Michael P. Sigalas (Educ. Inf. Technol., 2003)

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)

The dramatic effect of NH3 co-ligation on the FE+-assisted activation of carbon dioxide in the gas phase: From bare metal ions to complexes. - Paraskevas A. Karipidis; Constantinos A. Tsipis (J. Comput. Chem., 2008)

Structural, electronic, bonding, magnetic, and optical properties of bimetallic [RunAum]0/+ (n + m <= 3) clusters. - Dimitrios N. Garbounis; Athanassios C. Tsipis; Constantinos A. Tsipis (J. Comput. Chem., 2010)

Diagnosis of magnetoresponsive aromatic and antiaromatic zones in three-membered rings of d- and f-block elements. - Athanassios C. Tsipis; Ioannis G. Depastas; Efstathios E. Karagiannis; Constantinos A. Tsipis (J. Comput. Chem., 2010)

Diagnosis of the σ-, π- and (σ+π)-Aromaticity by the Shape of the NICSzz-Scan Curves and Symmetry-Based Selection Rules. - Athanassios C. Tsipis; Ioannis G. Depastas; Constantinos A. Tsipis (Symmetry, 2010)

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)