Water to cyclohexane transfer free energy calculations for a carbon nanotube (bibtex)
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},
}