@ARTICLE{
author={Puthenkalathil Rakesh C,Etinski Mihajlo R,Ensing Bernd},
year={2020},
title={Unraveling the mechanism of biomimetic hydrogen fuel production - a first principles molecular dynamics study},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={22},
number={19},
pages={10447-10454},
document_type={Article},
} 

@ARTICLE{
author={Etinski Mihajlo R,Stankovic Ivana M,Puthenkalathil Rakesh C,Ensing Bernd},
year={2020},
title={A DFT study of structure and electrochemical properties of diiron-hydrogenase models with benzenedithiolato and benzenediselenato ligands},
journal={NEW JOURNAL OF CHEMISTRY},
volume={44},
number={3},
pages={932-941},
document_type={Article},
} 

@ARTICLE{
author={Etinski Mihajlo R,Ensing Bernd},
year={2018},
title={Puzzle of the Intramolecular Hydrogen Bond of Dibenzoylmethane Resolved by Molecular Dynamics Simulations},
journal={JOURNAL OF PHYSICAL CHEMISTRY A},
volume={122},
number={28},
pages={5945-5954},
document_type={Article},
}