[7] | Chalcogen Doping in SnO2: A DFT Investigation of Optical and Electronic Properties for Enhanced Photocatalytic Applications (Kelaidis, Nikolaos, Panayiotatos, Yerassimos and Chroneos, Alexander), In Materials, volume 17, 2024. |
[6] | A DFT Computational Study of Type-I Clathrates A8Sn46−x (A = Cs or NH4, x = 0 or 2) (Kelaidis, Nikolaos, Klontzas, Emmanuel and Kaltzoglou, Andreas), In Materials, volume 17, 2024. |
[5] | Investigating the complexation propensity of self-assembling dipeptides with the anticancer peptide-drug Bortezomib: a computational study (Divanach, Peter, Fanouraki, Eirini, Mitraki, Anna, Harmandaris, Vagelis and Rissanou, Anastassia N.), In Soft Matter, The Royal Society of Chemistry, volume 19, 2023. |
[4] | A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties (Avramopoulos A., Zelesny R., Reis H. Papadopoulos M.), In The Journal of Physical Chemistry C, volume , 2020. |
[3] | Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies (Takis, Panteleimon G., Papavasileiou, Konstantinos D., Peristeras, Loukas D., Boulougouris, Georgios C., Melissas, Vasilios S. and Troganis, Anastassios N.), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, 2017. |
[2] | Computational investigation of fullerene-DNA interactions: Implications of fullerene’s size and functionalization on DNA structure and binding energetics (Konstantinos D. Papavasileiou, Aggelos Avramopoulos, Georgios Leonis and Manthos G. Papadopoulos), In Journal of Molecular Graphics and Modelling, volume 74, 2017. |
[1] | Reverse micelles as antioxidant carriers: an experimental and molecular dynamics study (Chatzidaki, Maria D, Papavasileiou, Konstantinos D, Papadopoulos, Manthos G and Xenakis, Aristotelis), In Langmuir, ACS Publications, 2017. |