![PDF) Low-lying absorption and emission spectra of pyrene, 1,6-dithiapyrene, and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methods PDF) Low-lying absorption and emission spectra of pyrene, 1,6-dithiapyrene, and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methods](https://i1.rgstatic.net/publication/40679027_Low-lying_absorption_and_emission_spectra_of_pyrene_16-dithiapyrene_and_tetrathiafulvalene_A_comparison_between_ab_initio_and_time-dependent_density_functional_methods/links/09e4150f02ff65112f000000/largepreview.png)
PDF) Low-lying absorption and emission spectra of pyrene, 1,6-dithiapyrene, and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methods
![Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy - Tzeli - 2020 - ChemPhysChem - Wiley Online Library Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy - Tzeli - 2020 - ChemPhysChem - Wiley Online Library](https://chemistry-europe.onlinelibrary.wiley.com/cms/asset/e0980da0-53ce-453f-a828-867e2ddf5c03/cphc202000654-fig-0001-m.jpg)
Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy - Tzeli - 2020 - ChemPhysChem - Wiley Online Library
![PDF) The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids PDF) The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids](https://i1.rgstatic.net/publication/265167323_The_role_of_the_host-guest_interactions_in_the_relative_stability_of_compressed_encapsulated_homodimers_and_heterodimers_of_amides_and_carboxylic_acids/links/54033c890cf2bba34c1c2121/largepreview.png)
PDF) The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acids
![PDF) Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe PDF) Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe](https://www.researchgate.net/profile/Ioannis-Petsalakis/publication/234982210/figure/fig1/AS:299782967971842@1448485237403/Potential-energy-curves-for-the-S-states-of-XeKr_Q320.jpg)
PDF) Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe
![Electronic structure and spectra of (Cu 2 O) n –H 2 O complexes - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C4CP04303K Electronic structure and spectra of (Cu 2 O) n –H 2 O complexes - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C4CP04303K](https://pubs.rsc.org/image/article/2015/CP/c4cp04303k/c4cp04303k-f1_hi-res.gif)
Electronic structure and spectra of (Cu 2 O) n –H 2 O complexes - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C4CP04303K
The role of electric field, peripheral chains, and magnetic effects on significant 1H upfield shifts of the encapsulated molecules in chalcogen-bonded capsules - Physical Chemistry Chemical Physics (RSC Publishing)
![Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places](https://www.researchgate.net/profile/Demeter-Tzeli/publication/354078289/figure/fig5/AS:1061027819032576@1629980153052/i-Relative-shifts-of-1-H-NMR-shifts-ppm-of-the-1-C-4-H-9-Br-and-1-C-4-H-9-I_Q320.jpg)
Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places
![PDF) Encapsulation of monomers, homodimers and heterodimers of amides and carboxylic acids in three non-covalent assemblies PDF) Encapsulation of monomers, homodimers and heterodimers of amides and carboxylic acids in three non-covalent assemblies](https://i1.rgstatic.net/publication/282772928_Encapsulation_of_monomers_homodimers_and_heterodimers_of_amides_and_carboxylic_acids_in_three_non-covalent_assemblies/links/561cec4a08ae6d17308d3d7f/largepreview.png)
PDF) Encapsulation of monomers, homodimers and heterodimers of amides and carboxylic acids in three non-covalent assemblies
![Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places](https://www.researchgate.net/profile/Demeter-Tzeli/publication/354078289/figure/fig6/AS:1061027819053057@1629980153090/Magnetic-anisotropy-of-A-X-A-X-complexes-where-X-O-S-Se-and-Te-Contour-on-the-XY_Q320.jpg)
Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places
![PDF) Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe PDF) Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe](https://www.researchgate.net/profile/Ioannis-Petsalakis/publication/234982210/figure/fig2/AS:299782967971844@1448485237481/Potential-Kr2-p-6-1-S_Q320.jpg)
PDF) Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe
![Ioannis PETSALAKIS | Research Director | PhD | National Hellenic Research Foundation, Athens | EIE | Institute of Theoretical and Physical Chemistry Ioannis PETSALAKIS | Research Director | PhD | National Hellenic Research Foundation, Athens | EIE | Institute of Theoretical and Physical Chemistry](https://www.researchgate.net/profile/Demeter-Tzeli/publication/282772928/figure/fig4/AS:962176395247626@1606412137110/Calculated-structures-of-the-lowest-minima-of-the-11-AH-and-11-CH-species-viewed-from_Q320.jpg)
Ioannis PETSALAKIS | Research Director | PhD | National Hellenic Research Foundation, Athens | EIE | Institute of Theoretical and Physical Chemistry
![Theoretical study of the photophysical processes of a styryl‐bodipy derivative eliciting an AND molecular logic gate response - Tzeli - 2019 - International Journal of Quantum Chemistry - Wiley Online Library Theoretical study of the photophysical processes of a styryl‐bodipy derivative eliciting an AND molecular logic gate response - Tzeli - 2019 - International Journal of Quantum Chemistry - Wiley Online Library](https://onlinelibrary.wiley.com/cms/asset/7414358b-811f-4ac0-914b-9d71b559ff90/qua.v119.16.cover.jpg)
Theoretical study of the photophysical processes of a styryl‐bodipy derivative eliciting an AND molecular logic gate response - Tzeli - 2019 - International Journal of Quantum Chemistry - Wiley Online Library
![PDF) Physical Insights into Molecular Sensors, Molecular Logic Gates, and Photosensitizers in Photodynamic Therapy PDF) Physical Insights into Molecular Sensors, Molecular Logic Gates, and Photosensitizers in Photodynamic Therapy](https://i1.rgstatic.net/publication/330432300_Physical_Insights_into_Molecular_Sensors_Molecular_Logic_Gates_and_Photosensitizers_in_Photodynamic_Therapy/links/5c3fe331299bf12be3cd9f6a/largepreview.png)
PDF) Physical Insights into Molecular Sensors, Molecular Logic Gates, and Photosensitizers in Photodynamic Therapy
![Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places](https://www.researchgate.net/profile/Demeter-Tzeli/publication/354078289/figure/fig4/AS:1061027814838275@1629980152804/Calculated-A-Y-A-Y-capsules-alkyl-halides-dimers-and-encapsulated-C-4-H-9-X-C-4-H-9_Q320.jpg)
Ioannis D. Petsalakis's research works | National Hellenic Research Foundation, Athens (EIE) and other places
![PDF) Theoretical study of nonadiabatic interactions, radiative lifetimes and predissociation lifetimes of excited states of BH PDF) Theoretical study of nonadiabatic interactions, radiative lifetimes and predissociation lifetimes of excited states of BH](https://i1.rgstatic.net/publication/239245681_Theoretical_study_of_nonadiabatic_interactions_radiative_lifetimes_and_predissociation_lifetimes_of_excited_states_of_BH/links/0a85e53459a8befca8000000/largepreview.png)
PDF) Theoretical study of nonadiabatic interactions, radiative lifetimes and predissociation lifetimes of excited states of BH
![Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy - Tzeli - 2020 - ChemPhysChem - Wiley Online Library Aromaticity and Chemical Bonding of Chalcogen‐Bonded Capsules Featuring Enhanced Magnetic Anisotropy - Tzeli - 2020 - ChemPhysChem - Wiley Online Library](https://chemistry-europe.onlinelibrary.wiley.com/cms/asset/727bad61-dc76-4a3f-bd12-b0fa7f9df2fb/cphc202000654-toc-0001-m.jpg)