Vote for your favorite mineral in #MinCup25! - Paddlewheelite vs. Mannardite
It's a battle of the tiny as bright green #paddlewheelite goes up against jet black #mannardite. Both are small yet mighty minerals, but only one can win!
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Roohi, Hossein, Rouhi, Mino, Facehi, Ahmad (2023) Assessing the performance of Al- and Ga-doped BNNTs for sensing and delivering Cytarabine and Gemcitabine anticancer drugs: a M06-2X study. Molecular Physics, 121 (22) doi:10.1080/00268976.2023.2233639

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleAssessing the performance of Al- and Ga-doped BNNTs for sensing and delivering Cytarabine and Gemcitabine anticancer drugs: a M06-2X study
JournalMolecular Physics
AuthorsRoohi, HosseinAuthor
Rouhi, MinoAuthor
Facehi, AhmadAuthor
Year2023 (November 17)Volume121
Issue22
PublisherInforma UK Limited
DOIdoi:10.1080/00268976.2023.2233639Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16960056Long-form Identifiermindat:1:5:16960056:5
GUID0
Full ReferenceRoohi, Hossein, Rouhi, Mino, Facehi, Ahmad (2023) Assessing the performance of Al- and Ga-doped BNNTs for sensing and delivering Cytarabine and Gemcitabine anticancer drugs: a M06-2X study. Molecular Physics, 121 (22) doi:10.1080/00268976.2023.2233639
Plain TextRoohi, Hossein, Rouhi, Mino, Facehi, Ahmad (2023) Assessing the performance of Al- and Ga-doped BNNTs for sensing and delivering Cytarabine and Gemcitabine anticancer drugs: a M06-2X study. Molecular Physics, 121 (22) doi:10.1080/00268976.2023.2233639
In(2023, November) Molecular Physics Vol. 121 (22) Informa UK Limited

See Also

These are possibly similar items as determined by title/reference text matching only.

Roohi, Hossein, Ardehjani, Nastaran Askari (2022) Adsorption performance of TM doped (TM = Fe, Ni, Cr and Zn) silicon carbide nanotubes towards formaldehyde: a DFT-M06-L study. Molecular Physics, 120 (5) doi:10.1080/00268976.2021.2006351
Roohi, Hossein, Moghadam, Behnaz (2019) Decomposition mechanism of the phenylaminyl C6H5N H radical to propargyl and acetylene: A M06-2X, CBS-QB3 and G4 study. Chemical Physics Letters, 730. 332-339 doi:10.1016/j.cplett.2019.06.018
Yekta, Melody, Zanjanchi, Mohammad Ali, Roohi, Hossein, Askari Ardehjani, Nastaran (2023) Adsorption and sensing of CS2, H2S and COS gases by pure and metal (Cr, Fe, Ni and Zn) doped GaN nanosheets: a DFT-D study. Molecular Physics, 121 (13) Informa UK Limited. doi:10.1080/00268976.2023.2203781
Roohi, Hossein, Ghauri, Khatereh (2016) Influence of various anions and cations on electrochemical and physicochemical properties of the nanostructured Tunable Aryl Alkyl Ionic Liquids (TAAILs): A DFT M06-2X study. Thermochimica Acta, 639. 20-40 doi:10.1016/j.tca.2016.07.003
Venkataramanan, Natarajan Sathiyamoorthy (2025) Evaluating the drug delivery and sensing performance of XB23N24, (X = B, Al, Ga) nanocages for gemcitabine anticancer drug. Computational and Theoretical Chemistry, 1248. doi:10.1016/j.comptc.2025.115222
Rahimi, Rezvan, Solimannejad, Mohammad (2023) Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study. Molecular Physics, 121 (21) doi:10.1080/00268976.2023.2231093
Roohi, Hossein, Maleki, Layla (2017) Influence of axial tensile strain on the electronic and structural properties as well as NO gas sensitivity and reactivity of C-doped SW-BNNTs. Surface Science, 665. 62-82 doi:10.1016/j.susc.2017.08.010
Walker, Martin, Harvey, Andrew J. A., Sen, Ananya, Dessent, Caroline E. H. (2013) Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions. The Journal of Physical Chemistry A, 117 (47). 12590-12600 doi:10.1021/jp408166m
Roohi, Hossein, Maleki, Layla, Moradzadeh, Maryam Erfani (2017) Exploring electronic properties and NO gas sensitivity of Si-doped SW-BNNTs under axial tensile strain. Journal of Materials Science, 52. 9739-9763 doi:10.1007/s10853-017-1146-y
Gu, Jiande, Wang, Jing, Leszczynski, Jerzy (2011) Stacking and H-bonding patterns of dGpdC and dGpdCpdG: Performance of the M05-2X and M06-2X Minnesota density functionals for the single strand DNA. Chemical Physics Letters, 512. 108-112 doi:10.1016/j.cplett.2011.06.085
Farrokhpour, Hossein, Jouypazadeh, Hamidreza (2017) Description of adenine and cytosine on Au(111) nano surface using different DFT functionals (PW91PW91, wB97XD, M06-2X, M06-L and CAM-B3LYP) in the framework of ONIOM scheme: Non-periodic calculations. Chemical Physics, 488. 1-10 doi:10.1016/j.chemphys.2017.03.001
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 16, 2025 01:45:43
Go to top of page