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Browsing by Author Tsipis, C. A.

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Showing results 8 to 27 of 28 < previous   next >
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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-
Synthesis and Characterization of New Five-Coordinate Platinum Nitrosyl Derivatives: Density Functional Theory Study of Their Electronic StructureAra, I.; ForniΓ©s, J.; GarcΓ­a-Monforte, M. A.; MenjΓ³n, B.; Sanz-Carrillo, R. M.; TomΓ΅s, M.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Synthesis of Homo- or Hetero-trinuclear Palladium(II)/Platinum(II) Compounds with Bridging Phosphido Ligands. Crystal and Electronic Structures (DFT) of [N(PPh3)2]2[Pt3(ΞΌ-PPh2)4(C6F5)4] and of Its Oxidation Product [Pt3(C6F5)4(ΞΌ-PPh2)4]Alonso, E.; Casas, J. M.; Fornies, J.; Fortuno, C.; Martin, A.; Orpen, A. G.; Tsipis, C. A.; Tsipis, A. C.24-Nov-2015-
Theoretical Aspects of Methane Chemisorption on MgO Surfaces. Modeling of Impurityinduced Trapping of a Hole, Surface Defects and Site Dependence of Methane Chemisorption on (MgO)9,12 ClustersStiakaki, M.-A. D.; Tsipis, A. C.; Tsipis, C. A.; Xanthopoulos, C. E.24-Nov-2015-
Theoretical aspects of methane dissociation and hydroxylation on metal oxide diatomics in the gas phaseStiakaki, M.-A. D.; Tsipis, A. C.; Tsipis, C. A.; Xanthopoulos, C. E.24-Nov-2015-
Theoretical Study of Methane Activation by Gas-Phase Cationic Main Group Metal Oxide DiatomicsStiakaki, M.-A. D.; Tsipis, A. C.; Tsipis, C. A.; Xanthopoulos, C. E.24-Nov-2015-
A theoretical study of molecular titanium oxide clusters: structure, bonding, vibrations and stabilityTsipis, C. A.; Tsipis, A. C.24-Nov-2015-
Theoretical Study on the Mechanism of Reaction of Ground-State Fe Atoms with Carbon DioxidePantazis, D. A.; Tsipis, A. C.; Tsipis, C. A.24-Nov-2015-
Showing results 8 to 27 of 28 < previous   next >