Reversible encapsulation in a covalent capsuleD. Tzeli; I. D. Petsalakis; G. Theodorakopoulos; J. Rebek · 2015

Ab initio multichannel quantum defects for the1A1Rydberg states of H2OI. D. Petsalakis; G. Theodorakopoulos; M. S. Child · 1995

Theoretical investigation of the excited states of NeH: calculations of dipole transition moments and radial coupling matrix elementsG. Theodorakopoulos; R. J. Buenker; I. D. Petsalakis · 1987

A method for the calculation of transition moments between electronic states of molecules using a different one-electron basis set for each stateG. Theodorakopoulos; I. D. Petsalakis; C. A. Nicolaides · 1986

Theoretical dipole transition moments for the transitions to the ground state X2σ+from the A2σ+, B2Π, C2σ+, D2σ+and E2Π states and for the B2?A2:+system in HeHG. Theodorakopoulos; I. D. Petsalakis; C. A. Nicolaides; R. J. Buenker · 1987

Theoretical Investigation on the Effect of Protonation on the Absorption and Emission Spectra of Two Amine-Group-Bearing, Red “Push−Pull” Emitters, 4-Dimethylamino-4′-nitrostilbene and 4-(dicyanomethylene)-2-methyl-6- <i>p</i> -(dimethylamino) styryl-4H-pyran, by DFT and TDDFT CalculationsPetsalakis, I. D.; Georgiadou, D. G; Vasilopoulou, M.; Pistolis, G.; Dimotikali, D.; Argitis, P.; Theodorakopoulos, G. · The Journal of Physical Chemistry A · 2010