by Anastasios Gotzias
Reference:
Water to cyclohexane transfer free energy calculations for a carbon nanotube (Anastasios Gotzias), In Carbon Trends, volume 9, 2022.
Bibtex Entry:
@article{doi:10.1016/j.cartre.2022.100215,
call={pr011},
acronym={Inject},
fulltitle={Injecting Carbon Nanostructures in Living Cells},
pi={Anastasios Gotzias},
affiliation={National Center for Scientific Research Demokritos},
researchfield={Chemical Sciences and Materials},
title = {Water to cyclohexane transfer free energy calculations for a carbon nanotube},
journal = {Carbon Trends},
volume = {9},
pages = {100215},
year = {2022},
bibyear = {2022},
issn = {2667-0569},
doi = {10.1016/j.cartre.2022.100215},
url = {https://www.sciencedirect.com/science/article/pii/S2667056922000712},
author = {Anastasios Gotzias},
keywords = {Thermodynamic integration, Umbrella sampling simulations, Solvent accessible surface area},
}