A method to calculate the weights of nbo electronic structures from Moffitt's theorem. - Padeleimon Karafiloglou (J. Comput. Chem., 2001)

Control of delocalization and structural changes by means of an electric field. - Padeleimon Karafiloglou (J. Comput. Chem., 2006)

To Be or Not to Be: Demystifying the 2nd-Quantized Picture of Complex Electronic Configuration Patterns in Chemistry with Natural Poly-Electron Population Analysis. - Katerina Kyriakidou; Padeleimon Karafiloglou; Eric D. Glendening; Frank Weinhold (J. Comput. Chem., 2019)