All Stories

  1. Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents

    Article • Journal of Computational Chemistry, August 2017, Wiley

    THOMAS NIKOPOULOS, Dr Anastasios George Papadopoulos

  2. DFT study of radical scavenging activity of sesame oil lignans and selected in vivo metabolites of sesamin

    Article • Computational and Theoretical Chemistry, February 2016, Elsevier

    Dr Anastasios George Papadopoulos

  3. Study of Electron Delocalization in 1,2-, 1,3-, and 1,4-Azaborines Based on the Canonical Molecular Orbital Contributions to the Induced Magnetic Field and Polyelectron Population Analysis

    Article • The Journal of Physical Chemistry A, October 2015, American Chemical Society (ACS)

    Dr Anastasios George Papadopoulos

  4. Neutral mononuclear luminescent Pd(II) complexes with heterocyclic thiolate ligands and chelating phosphines. Structural and photophysical assignments

    Article • Polyhedron, July 2015, Elsevier

    Dr Anastasios George Papadopoulos

  5. The structural and electronic impact on the photophysical and biological properties of a series of CuI and AgI complexes with triphenylphosphine and pyrimidine-type thiones

    Article • New Journal of Chemistry, January 2015, Royal Society of Chemistry

    Dr Anastasios George Papadopoulos, Dr Panagiotis Papanikolaou

  6. Metal-assisted desulfurization of 2-thioorotic acid: Structure, theoretical (DFT) investigations, in vitro antibacterial and cytotoxic activity and DNA degradation ability of a copper(II) complex containing in situ formed bis(4-carboxylato-6-oxo-pyrimi...

    Article • Polyhedron, August 2014, Elsevier

    Dr Anastasios George Papadopoulos

  7. Application of density functional theory in combination with FTIR and DSC to characterise polymer drug interactions for the preparation of sustained release formulations between fluvastatin and carrageenans

    Article • International Journal of Pharmaceutics, May 2014, Elsevier

    Dr Anastasios George Papadopoulos, Professor Dimitris Achilias

  8. Interpretation of Electron Delocalization in Benzene, Cyclobutadiene, and Borazine Based on Visualization of Individual Molecular Orbital Contributions to the Induced Magnetic Field

    Article • The Journal of Physical Chemistry A, February 2014, American Chemical Society (ACS)

    Dr Anastasios George Papadopoulos

  9. 2-Substituted-1H-perimidines: Synthesis, crystal structure and DFT calculations

    Article • Journal of Molecular Structure, June 2013, Elsevier

    Dr Anastasios George Papadopoulos

  10. Copper(i) complexes of 1,10-phenanthroline and heterocyclic thioamides: an experimental and theoretical (DFT) investigation of the photophysical characteristics

    Article • Dalton Transactions, January 2013, Royal Society of Chemistry

    Dr Anastasios George Papadopoulos

  11. Aromaticity variation in BN substituted triphenylene: A theoretical study

    Article • January 2012, American Institute of Physics

    Dr Anastasios George Papadopoulos

  12. Theoretical study of hydrogen bond interactions of fluvastatin with ι-carrageenan and λ-carrageenan

    Article • Journal of Molecular Modeling, October 2010, Springer Science + Business Media

    Dr Anastasios George Papadopoulos