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Browsing by Author Tsipis, C. A.

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Showing results 1 to 20 of 28  next >
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Ab initio Quantum Chemical Study of the Coordination Preferences and Catalytic Role of Cu+ Ions in the Dehydration Reactions of Hydroxyformaldoxime Conformers and the oxidation of HCN to Hydroxyformaldoxime by Hydrogen PeroxidePantazis, D. A.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Aromatic gold and silver 'rings': Hydrosilver(I) and hydrogold(I) analogues of aromatic hydrocarbonsTsipis, C. A.; Karagiannis, E. E.; Kladou, P. F.; Tsipis, A. C.24-Nov-2015-
Density functional study of configurational, conformational, energetic, electronic and spectroscopic properties of fluorohydroxyformaldoxime and its dehydration productsTsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Density Functional Study of the Electronic Structure and Related Properties of Pt(NO)/Pt(NO2) Redox CoupleKaripidis, P.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Diagnosis of Magnetoresponsive Aromatic and Antiaromatic Zones in Three-Membered Rings of d- and f-Block ElementsTsipis, A. C.; Depastas, I. G.; Karagiannis, E. E.; Tsipis, C. A.24-Nov-2015-
Diagnosis of the Οƒ-, Ο€- and (Οƒ+Ο€)-Aromaticity by the Shape of the NICSzz-Scan Curves and Symmetry-Based Selection RulesTsipis, A. C.; Depastas, I. G.; Tsipis, C. A.24-Nov-2015-
Experimental and quantum chemical study of the mechanism of an unexpected intramolecular reductive coupling of a bridging phosphido ligand and a C6F5 group and the reversible oxidative addition of PPh2C6F5Chaouche, N.; Fornies, J.; Fortuno, C.; Kribii, A.; Martin, A.; Karipidis, P.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
From a 44-electron to a 48-electron trinuclear phosphido platinum complex: density functional study of [{(CF3)(PH3)Pt (mu-PH2)(mu-H)}(2)Pt] and [{(CF3)(PH3)Pt(mu-PH2)(mu-I)}(2)Pt] model compoundsAra, I.; Chaouche, N.; Fornies, J.; Fortuno, C.; Kribii, A.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Ground and Excited State Properties of the Cationic and Anionic First Row Transition- Metal Oxide Diatomics Calculated by an Improved ASED-MO ModelBakalbassis, E. G.; Stiakaki, M.-A. D.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Ground and low-lying excited state properties of the first-row transition-metal oxide diatomics calculated by an improved ASED-MO modelBakalbassis, E. G.; Stiakaki, M.-A. D.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Hydrometal Analogues of Aromatic Hydrocarbons:"‰ A New Class of Cyclic Hydrocoppers(I)Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Ligand-stabilized aromatic three-membered gold rings and their sandwichlike complexesTsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model studyTsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Molecular Geometries and Energetics of Metal-Containing Systems Using a Modified Extended HΕ±ckel Molecular Orbital Method: A Systematic Test to 1 and 2 Group Metal-Containing Systems in the Gas-PhaseStiakaki, M.-A. D.; Tsipis, A. C.; Tsipis, C. A.; Xanthopoulos, C. E.24-Nov-2015-
Molecular Transition Metal Oxides:"‰ Ab Initio and Density Functional Electronic Structure Study of Tungsten Oxide ClustersTsipis, C. A.; Tsipis, A. C.24-Nov-2015-
Quantum Chemical Study of the Interaction of Calcium Cations (Ca2+) with Glycolic Acid Conformers and their Conjugate Bases in the Gas PhaseTsipis, A, C.; Tsipis, C. A.; Valla, V.24-Nov-2015-
Reversible transformation of two diphenylphosphanido ligands into the neutral tetraphenyldiphosphane ligandFornies, J.; Fortuno, C.; Ibanez, S.; Martin, A.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
The role of the 5f orbitals in bonding, aromaticity, and reactivity of planar lsocyclic and heterocyclic uranium clustersTsipis, A. C.; Kefalidis, C. E.; Tsipis, C. A.24-Nov-2015-
Spectroscopic Constants and Energetics of Metal-containing Systems. Experiment for the Undergraduate Computational Chemistry LaboratoryBakalbassis, E. G.; Stiakaki, M.-A. D.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Structural, Electronic, Bonding, Magnetic, and Optical Properties of Bimetallic [Ru(n)Au(m)](0/+) (n plus m <= 3) ClustersGarbounis, D. N.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Showing results 1 to 20 of 28  next >