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Giannoula Theodorakopoulos
Giannoula Theodorakopoulos
Director of Research, Theoretical and Physical Chemistry Institute, The National Hellenic Research
Verified email at eie.gr
Title
Cited by
Cited by
Year
MRD-CI calculations on the potential energy curves of the ground and excited electronic states of the noble-gas hydrides, HeH, NeH and ArH
G Theodorakopoulos, SC Farantos, RJ Buenker, SD Peyerimhoff
Journal of Physics B: Atomic and Molecular Physics 17 (8), 1453, 1984
911984
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
882013
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
701984
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
671988
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
661985
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
612020
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
601984
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
591987
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
591987
Potential energy surfaces for the photodissociation H2O→ O (1Dg+ H2 (X1Σ+ g)
G Theodorakopoulos, CA Nicolaides, RJ Buenker, SD Peyerimhoff
Chemical Physics Letters 89 (2), 164-170, 1982
551982
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
521988
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
502010
A non-van der Waals minimum of the He (1S)+ H2 (B 1Σu+) excited surface
SC Farantos, G Theodorakopoulos, CA Nicolaides
Chemical physics letters 100 (3), 263-267, 1983
501983
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
492011
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
471984
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
452012
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
442011
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
402018
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
392009
Adiabatic and quasidiabatic 2Σ+ states of BeH
ID Petsalakis, G Theodorakopoulos, CA Nicolaides
The Journal of chemical physics 97 (10), 7623-7628, 1992
391992
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