Excited-State Intramolecular Proton Transfer in Hydroxyoxime-Based Chemical Sensors von Kerkines, Ioannis S. K, Petsalakis, Ioannis D, Theodorakopoulos, Giannoula, Rebek, Julius

Volltext

Fluorescence properties of organic dyes: quantum chemical studies on the green/blue neutral and protonated DMA-DPH emitters in polymer matrices von KERKINES, Ioannis S. K, PETSALAKIS, Ioannis D, ARGITIS, Panagiotis, THEODORAKOPOULOS, Giannoula

Volltext

Low-lying absorption and emission spectra of pyrene, 1,6-dithiapyrene,and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methods von Kerkines, Ioannis S. K., Petsalakis, Ioannis D., Theodorakopoulos, Giannoula, Klopper, Wim

Volltext

A Theoretical Study of Calcium Monohydride, CaH:  Low-Lying States and Their Permanent Electric Dipole Moments von Kerkines, Ioannis S. K, Mavridis, Aristides

Volltext

Structure and Energetics of Gaseous HZnCl von Kerkines, Ioannis S. K, Mavridis, Aristides, Karipidis, Paraskevas A

Volltext

Ab Initio Study of the Ground and Excited States of Zinc Carbide, ZnC von Tsouloucha, Andromache, Kerkines, Ioannis S. K, Mavridis, Aristides

Volltext

A Multireference Coupled-Cluster Potential Energy Surface of Diazomethane, CH2N2 von Kerkines, Ioannis S. K, Čársky, Petr, Mavridis, Aristides

Volltext

Analytical potential energy surfaces for N3 low-lying doublet states von Wang, Zhi, Kerkines, Ioannis S. K., Morokuma, Keiji, Zhang, Peng

Volltext

On the electron affinity of SiN and spectroscopic constants of SiN(-) von Kerkines, Ioannis S K, Mavridis, Aristides

Volltext

Theoretical study on perylene derivatives as fluorescent sensors for amines von Lathiotakis, Nektarios N., Kerkines, Ioannis S.K., Theodorakopoulos, Giannoula, Petsalakis, Ioannis D.

Volltext

On the Bonding Nature of the N5+(=N(N2)2+) Cation and Related Species N(CO)x+, N(NH3)x+, and NRx+, x = 1, 2 and R = He, Ne, Ar, Kr. Do We Really Need the Resonance Concept? von KERKINES, Ioannis S. K., PAPAKONDYLIS, Aristotle, MAVRIDIS, Aristides

Volltext

Tailoring the spacer type and length in push–pull chromophores. Insights from a systematic theoretical study von Kerkines, Ioannis S.K., Lathiotakis, Nektarios N., Theodorakopoulos, Giannoula, Petsalakis, Ioannis D.

Volltext

Electronic Structure of Scandium and Titanium Carbide Cations, ScC+ and TiC+. Ground and Low-Lying States von Kerkines, Ioannis S. K, Mavridis, Aristides

Volltext

Theoretical Investigation of Organo-Noble Gas Compounds, HC(Ng) n +, n = 1, 2; Ng = He, Ne, Ar, Kr, and Xe. Evidence for Potentially Isolable HCAr n +, HCKr n +, and HCXe n + Speci... von Papakondylis, Aristotle, Kerkines, Ioannis S. K, Mavridis, Aristides

Volltext

Short- and long-range binding of Be with Mg in the X 1Σ+ ground state and in the A 1Π excited state von Kerkines, Ioannis S. K., Nicolaides, Cleanthes A.

Volltext

An Accurate Description of the LiNe X 2Σ+, A 2Π, and B 2Σ+ States von Kerkines, Ioannis S. K, Mavridis, Aristides

Volltext

Emitting and electron-transfer electronic states of tertiary amine–fluorophore sensor systems von Petsalakis, Ioannis D., Kerkines, Ioannis S.K., Lathiotakis, Nektarios N., Theodorakopoulos, Giannoula

Volltext

Ab Initio Investigation of the LiHe X 2Σ+, A 2Π, and B 2Σ+ States:  A Basis Set Study von Kerkines, Ioannis S. K, Mavridis, Aristides

Volltext

Theoretical study on the electronic structure and the absorption spectra of complexes of C60 and C59N with π-extended derivatives of tetrathiafulvalene von Petsalakis, Ioannis D., Tzeli, Demeter, Kerkines, Ioannis S.K., Theodorakopoulos, Giannoula

Volltext

Analytical potential energy surfaces for N 3 low-lying doublet states von Wang, Zhi, Kerkines, Ioannis S. K., Morokuma, Keiji, Zhang, Peng

Volltext