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Author
27
Tsipis, C. A.
8
Fornies, J.
7
Martin, A.
7
Stiakaki, M.-A. D.
6
Cox, P. J.
6
Hadjikakou, S. K.
5
Aslanidis, P.
5
Fortuno, C.
5
Hadjiliadis, N.
5
Xanthopoulos, C. E.
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density-functional theory
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density functional calculations
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copper
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crystal-structure
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density
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dft
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intermolecular interactions
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molecular-structure
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palladium(ii)-platinum(ii) pentaf...
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reactivity
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Item Type
66
journalArticle
Date
18
2010 - 2012
37
2000 - 2009
11
1993 - 1999
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ΑΠΟΘΕΤΗΡΙΟ "ΟΛΥΜΠΙΑΣ"
Σχολή Θετικών Επιστημών
Τμήμα Χημείας
Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ
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Reversible transformation of two diphenylphosphanido ligands into the neutral tetraphenyldiphosphane ligand (Journal article)
Ground and Excited State Properties of the Cationic and Anionic First Row Transition- Metal Oxide Diatomics Calculated by an Improved ASED-MO Model (Journal article)
Ground and low-lying excited state properties of the first-row transition-metal oxide diatomics calculated by an improved ASED-MO model (Journal article)
Hydrometal Analogues of Aromatic Hydrocarbons:"‰ A New Class of Cyclic Hydrocoppers(I) (Journal article)
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 Peroxide (Journal article)
Inhibition of peroxidase-catalyzed iodination by thioamides: experimental and theoretical study of the antithyroid activity of thioamides (Journal article)
A theoretical study of molecular titanium oxide clusters: structure, bonding, vibrations and stability (Journal article)
Molecular Geometries, Electronic Structures and Energetics of Neutral and Cationic Mono-ligated Ammonia Complexes of the d-block Elements Calculated by an Improved Modified ASED-MO Model (Journal article)
Molecular and Electronic Structure, Magnetotropicity and Absorption Spectra of Benzene�Trinuclear Copper(I) and Silver(I) Trihalide Columnar Binary Stacks (Journal article)
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-Phase (Journal article)