| Amplified halogen bonding in a small space MG Sarwar, D Ajami, G Theodorakopoulos, ID Petsalakis, J Rebek Jr Journal of the American Chemical Society 135 (37), 13672-13675, 2013 | 88 | 2013 |
| Nonorthonormal CI for molecular excited states. I. The sudden polarization effect in 90 twisted ethylene ID Petsalakis, G Theodorakopoulos, CA Nicolaides, RJ Buenker, ... The Journal of chemical physics 81 (7), 3161-3167, 1984 | 70 | 1984 |
| Theoretical calculations on electronic transitions for H3, including Rydberg and transition state spectra ID Petsalakis, G Theodorakopoulos, JS Wright The Journal of Chemical Physics 89 (11), 6850-6859, 1988 | 67 | 1988 |
| MRD CI calculations on the asymmetric stretch potentials of H2O in the ground and the first seven singlet excited states G Theodorakopoulos, ID Petsalakis, RJ Buenker Chemical physics 96 (2), 217-225, 1985 | 66 | 1985 |
| Suppressing the photocatalytic activity of zinc oxide electron-transport layer in nonfullerene organic solar cells with a pyrene-bodipy interlayer A Soultati, A Verykios, S Panagiotakis, KK Armadorou, MI Haider, ... ACS applied materials & interfaces 12 (19), 21961-21973, 2020 | 62 | 2020 |
| Chalcogen bonding and hydrophobic effects force molecules into small spaces FU Rahman, D Tzeli, ID Petsalakis, G Theodorakopoulos, P Ballester, ... Journal of the American Chemical Society 142 (12), 5876-5883, 2020 | 62 | 2020 |
| Bending potentials for H2O in the ground and the first six singlet excited states G Theodorakopoulos, ID Petsalakis, RJ Buenker, SD Peyerimhoff Chemical physics letters 105 (3), 253-257, 1984 | 60 | 1984 |
| Theoretical dipole transition moments for transitions between bound electronic states and non-adiabatic coupling matrix elements between 2Σ+ of HeH ID Petsalakis, G Theodorakopoulos, CA Nicolaides, RJ Buenker Journal of Physics B: Atomic and Molecular Physics 20 (22), 5959, 1987 | 59 | 1987 |
| Theoretical dipole transition moments for the transitions to the ground state X2σ+ from the A2σ+, B2Π, C2σ+, D2σ+ and E2Π states and for the B 2? A 2:+ system in HeH G Theodorakopoulos, ID Petsalakis, CA Nicolaides, RJ Buenker Journal of Physics B: Atomic and Molecular Physics 20 (11), 2339, 1987 | 59 | 1987 |
| Electron inelastic mean free paths in biological matter based on dielectric theory and local-field corrections D Emfietzoglou, I Kyriakou, I Abril, R Garcia-Molina, ID Petsalakis, ... Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2009 | 58 | 2009 |
| Photoinduced electron transfer on aqueous carbon nanohorn–pyrene–tetrathiafulvalene architectures G Pagona, ASD Sandanayaka, A Maigne, J Fan, GC Papavassiliou, ... Chemistry–A European Journal 13 (27), 7600-7607, 2007 | 58 | 2007 |
| Radiative dissociation and predissociation in HeH and NeH: A theoretical treatment using square-integrable functions ID Petsalakis, G Theodorakopoulos, RJ Buenker Physical Review A 38 (8), 4004, 1988 | 52 | 1988 |
| 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 … ID Petsalakis, DG Georgiadou, M Vasilopoulou, G Pistolis, D Dimotikali, ... The Journal of Physical Chemistry A 114 (17), 5580-5587, 2010 | 50 | 2010 |
| Theoretical study of hydrogen bonding in homodimers and heterodimers of amide, boronic acid, and carboxylic acid, free and in encapsulation complexes D Tzeli, G Theodorakopoulos, ID Petsalakis, D Ajami, J Rebek Journal of the American Chemical Society 133 (42), 16977-16985, 2011 | 49 | 2011 |
| Theory of chemical reactions of vibronically excited H2 (B 1Σ+ u). I. Prediction of a strongly bound excited state of H4 CA Nicolaides, G Theodorakopoulos, ID Petsalakis The Journal of chemical physics 80 (4), 1705-1706, 1984 | 47 | 1984 |
| Conformations and fluorescence of encapsulated stilbene D Tzeli, G Theodorakopoulos, ID Petsalakis, D Ajami, J Rebek Jr Journal of the American Chemical Society 134 (9), 4346-4354, 2012 | 45 | 2012 |
| Excited-state intramolecular proton transfer in hydroxyoxime-based chemical sensors ISK Kerkines, ID Petsalakis, G Theodorakopoulos, J Rebek Jr The Journal of Physical Chemistry A 115 (5), 834-840, 2011 | 44 | 2011 |
| Cavitands as Containers for α, ω‐Dienes and Chaperones for Olefin Metathesis NW Wu, ID Petsalakis, G Theodorakopoulos, Y Yu, J Rebek Jr Angewandte Chemie 130 (46), 15311-15315, 2018 | 40 | 2018 |
| Low-lying absorption and emission spectra of pyrene, 1, 6-dithiapyrene, and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methods ISK Kerkines, ID Petsalakis, G Theodorakopoulos, W Klopper The Journal of chemical physics 131 (22), 2009 | 39 | 2009 |
| Adiabatic and quasidiabatic 2Σ+ states of BeH ID Petsalakis, G Theodorakopoulos, CA Nicolaides The Journal of chemical physics 97 (10), 7623-7628, 1992 | 39 | 1992 |
Giannoula TheodorakopoulosDirector of Research, Theoretical and Physical Chemistry Institute, The National Hellenic ResearchVerified email at eie.gr
