Athanassios C. Tsipis
Orcid: 0000-0002-0425-2235
According to our database1,
Athanassios C. Tsipis
authored at least 10 papers
between 2002 and 2019.
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Bibliography
2019
Trans-philicity (trans-influence/trans-effect) ladders for square planar platinum(II) complexes constructed by 35Cl NMR probe.
J. Comput. Chem., 2019
2017
Exploring possible reaction pathways for the o-atom transfer reactions to unsaturated substrates catalyzed by a [Ni-NO<sub>2</sub>] ↔ [Ni-NO] redox couple using DFT methods.
J. Comput. Chem., 2017
2015
Electronic, bonding, and optical properties of 1d [CuCN]<i><sub>n</sub></i> (<i>n</i> = 1-10) chains, 2d [CuCN]<i><sub>n</sub></i> (<i>n</i> = 2-10) nanorings, and 3d [Cu<i><sub>n</sub></i>(CN)<i><sub>n</sub></i>]<i><sub>m</sub></i> (<i>n</i> = 4, <i>m</i> = 2, 3; <i>n</i> = 10, <i>m</i> = 2) tubes studied by DFT/TD-DFT methods.
J. Comput. Chem., 2015
2014
DFT assessment of the spectroscopic constants and absorption spectra of neutral and charged diatomic species of group 11 and 14 elements.
J. Comput. Chem., 2014
2012
Probing the electronic structure, chemical bonding, and excitation spectra of [CuE]+/0/- (E = 14 group element) diatomics employing DFT and <i>ab initio</i> methods.
J. Comput. Chem., 2012
2011
Structural, electronic, and magnetoresponsive properties of triangular lanthanide clusters and their free-standing nitrides.
J. Comput. Chem., 2011
2010
Diagnosis of the <i>σ</i>-, <i>π-</i> and (<i>σ</i>+<i>π</i>)-Aromaticity by the Shape of the NICS<sub>zz</sub>-Scan Curves and Symmetry-Based Selection Rules.
Symmetry, 2010
Diagnosis of magnetoresponsive aromatic and antiaromatic zones in three-membered rings of <i>d</i>- and <i>f</i>-block elements.
J. Comput. Chem., 2010
Structural, electronic, bonding, magnetic, and optical properties of bimetallic [Ru<sub><i>n</i></sub>Au<sub><i>m</i></sub>]<sup>0/+</sup> (<i>n</i> + <i>m</i> <= 3) clusters.
J. Comput. Chem., 2010
2002
Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model study.
J. Comput. Chem., 2002