Giannoula Theodorakopoulos

Amplified Halogen Bonding in a Small Space

Mohammed G. Sarwar, Dariush Ajami, Giannoula Theodorakopoulos et al. · Journal of the American Chemical Society · 2013 · 98 citations

Engineering, Encapsulation Complex, Molecular Simulation +17

Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces

Faiz‐Ur Rahman, Demeter Tzeli, Ioannis D. Petsalakis et al. · Journal of the American Chemical Society · 2020 · 92 citations

MRD-CI calculations on the potential energy curves of the ground and excited electronic states of the noble-gas hydrides, HeH, NeH and ArH

Giannoula Theodorakopoulos, Stavros C. Farantos, Robert J. Buenker et al. · Journal of Physics B Atomic and Molecular Physics · 1984 · 75 citations

Localized Excited State, Engineering, Excited-state Potential Curves +17

Nonorthonormal CI for molecular excited states. I. The sudden polarization effect in 90° twisted ethylene

Ioannis D. Petsalakis, Giannoula Theodorakopoulos, C. A. Nicolaides et al. · The Journal of Chemical Physics · 1984 · 62 citations

Charge Excitations, Engineering, Localized Excited State +21

MRD CI calculations on the asymmetric stretch potentials of H2O in the ground and the first seven singlet excited states

Giannoula Theodorakopoulos, Ioannis D. Petsalakis, Robert J. Buenker · Chemical Physics · 1985 · 62 citations

Excited State Property, Localized Excited State, Engineering +10