2 papers
cond-mat.mtrl-sci2024
Understanding Charge Transport in Single Molecule of Rhenium(I) Compounds: A Computational Approach
Rajwinder Kaur, Savas Kaya, Konstantin P. Katin +1
Understanding electrical characteristics and corresponding transport models at single molecular junctions is crucial. There have been many reports on organic compounds-based single…
cond-mat.mes-hall2016
Stone-Wales defects in nitrogen-doped C fullerenes: Insight from calculations
Konstantin Katin, Mikhail Maslov
Density functional theory is applied to study the mechanism of the Stone-Wales defect formation in pure and nitrogen-doped dodecahedral C fullerenes. The molecular structure…