Publications - Affiliation: National Hellenic Research Foundation
2024
[7] Chalcogen Doping in SnO2: A DFT Investigation of Optical and Electronic Properties for Enhanced Photocatalytic Applications (, and ), In Materials, volume 17, . [bibtex] [url] [doi]
[6] A DFT Computational Study of Type-I Clathrates A8Sn46−x (A = Cs or NH4, x = 0 or 2) (, and ), In Materials, volume 17, . [bibtex] [url] [doi]
2023
[5] Investigating the complexation propensity of self-assembling dipeptides with the anticancer peptide-drug Bortezomib: a computational study (, , , and ), In Soft Matter, The Royal Society of Chemistry, volume 19, . [bibtex] [url] [doi]
2020
[4] A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties (), In The Journal of Physical Chemistry C, volume , . [bibtex] [url] [doi]
2017
[3] Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies (, , , , and ), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, . [bibtex] [url] [doi]
[2] Computational investigation of fullerene-DNA interactions: Implications of fullerene’s size and functionalization on DNA structure and binding energetics (, , and ), In Journal of Molecular Graphics and Modelling, volume 74, . [bibtex] [url] [doi]
[1] Reverse micelles as antioxidant carriers: an experimental and molecular dynamics study (, , and ), In Langmuir, ACS Publications, . [bibtex] [url] [doi]