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Demeter Tzeli
Demeter Tzeli
Verified email at chem.uoa.gr
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Cited by
Year
Theoretical investigation of iron carbide, FeC
D Tzeli, A Mavridis
The Journal of chemical physics 116 (12), 4901-4921, 2002
912002
On the dipole moment of the ground state of iron carbide, FeC
D Tzeli, A Mavridis
The Journal of chemical physics 118 (11), 4984-4986, 2003
682003
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
Electronic structure and bonding of the 3d transition metal borides, MB, M= Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations
D Tzeli, A Mavridis
The Journal of chemical physics 128 (3), 2008
552008
First Principles Examination of the Acetylene−Water Clusters, HCCH−(H2O)x, x = 2, 3, and 4
D Tzeli, A Mavridis, SS Xantheas
The Journal of Physical Chemistry A 106 (46), 11327-11337, 2002
542002
First principles study of the electronic structure and bonding of Mn2
D Tzeli, U Miranda, IG Kaplan, A Mavridis
The Journal of chemical physics 129 (15), 2008
522008
First-Principles Investigation of the Boron and Aluminum Carbides BC and AlC and Their Anions BC- and AlC-. 1
D Tzeli, A Mavridis
The Journal of Physical Chemistry A 105 (7), 1175-1184, 2001
512001
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
A first principles study of the acetylene–water interaction
D Tzeli, A Mavridis, SS Xantheas
The Journal of Chemical Physics 112 (14), 6178-6189, 2000
472000
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
Review on the QM/MM methodologies and their application to metalloproteins
CE Tzeliou, MA Mermigki, D Tzeli
Molecules 27 (9), 2660, 2022
372022
Electronic structure of cobalt carbide, CoC
D Tzeli, A Mavridis
The Journal of Physical Chemistry A 110 (28), 8952-8962, 2006
332006
Accurate ab initio calculations of the ground states of FeC, FeC+, and FeC−
D Tzeli, A Mavridis
The Journal of chemical physics 132 (19), 2010
282010
Theoretical study on the electronic states of NaLi
ID Petsalakis, D Tzeli, G Theodorakopoulos
The Journal of chemical physics 129 (5), 2008
282008
Theoretical investigation of the ground and low-lying excited states of nickel carbide, NiC
D Tzeli, A Mavridis
The Journal of chemical physics 126 (19), 2007
282007
Accurate theoretical study of the excited states of boron and aluminum carbides, BC, AlC. 2
D Tzeli, A Mavridis
The Journal of Physical Chemistry A 105 (32), 7672-7685, 2001
232001
The electron affinity of gallium nitride (GaN) and digallium nitride (GaNGa): The importance of the basis set superposition error in strongly bound systems
D Tzeli, AA Tsekouras
The Journal of chemical physics 128 (14), 2008
222008
Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivative
D Tzeli, ID Petsalakis, G Theodorakopoulos
Physical Chemistry Chemical Physics 13 (25), 11965-11975, 2011
212011
A molecular level study of the aqueous microsolvation of acetylene
D Tzeli, A Mavridis, SS Xantheas
Chemical physics letters 340 (5-6), 538-546, 2001
202001
Theoretical study of free and encapsulated carboxylic acid and amide dimers
D Tzeli, ID Petsalakis, G Theodorakopoulos, D Ajami, J Rebek Jr
International Journal of Quantum Chemistry 113 (5), 734-739, 2013
192013
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