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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

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)
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)

Molecular logic gates based on benzo-18-crown-6 ether of styrylquinoline: a  theoretical study - Physical Chemistry Chemical Physics (RSC Publishing)  DOI:10.1039/C6CP06899E
Molecular logic gates based on benzo-18-crown-6 ether of styrylquinoline: a theoretical study - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C6CP06899E

PDF) Intramolecular single H bonding vs bifurcation in tuning the  conformation of 2,2′-dihydroxybenzophenone and its derivatives: a DFT  insight | Demeter Tzeli and Petros G Tsoungas - Academia.edu
PDF) Intramolecular single H bonding vs bifurcation in tuning the conformation of 2,2′-dihydroxybenzophenone and its derivatives: a DFT insight | Demeter Tzeli and Petros G Tsoungas - Academia.edu

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

PDF) A DFT Study of Adsorption of Gallium and Gallium Nitrides on Si(111)
PDF) A DFT Study of Adsorption of Gallium and Gallium Nitrides on Si(111)

PDF) 📄 The solvent effect on a styryl‐bodipy derivative functioning as an  AND molecular logic gate
PDF) 📄 The solvent effect on a styryl‐bodipy derivative functioning as an AND molecular logic gate

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

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

PDF] 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-p-(dimethylamino) styryl-4H ...
PDF] 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-p-(dimethylamino) styryl-4H ...

Electronic structure and absorption spectra of supramolecular complexes of  a fullerene crown ether with a π-extended TTF derivative - Physical  Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C0CP02665D
Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivative - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C0CP02665D

TPCI - Molecular Physics and Computational Chemistry
TPCI - Molecular Physics and Computational Chemistry

PDF) Theoretical study on the electronic states of NaLi
PDF) Theoretical study on the electronic states of NaLi

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

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

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

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

Revisiting intramolecular version of H-bonding. | Download Scientific  Diagram
Revisiting intramolecular version of H-bonding. | Download Scientific Diagram

Potential energy curves and dipole transition moments for excited  electronic states of XeKr and ArNe – topic of research paper in Physical  sciences. Download scholarly article PDF and read for free on
Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe – topic of research paper in Physical sciences. Download scholarly article PDF and read for free on

TPCI - Molecular Physics and Computational Chemistry
TPCI - Molecular Physics and Computational Chemistry

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

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

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

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