Vote for your favorite mineral in #MinCup25! - Carpathite vs. Leucite
Brace for oddness in a match between one of the very few hydrocarbon minerals carpathite and the temperature-flipping mineral leucite.
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

Li, Hao, Fu, Aiping, Xue, Xuyan, Guo, Fengna, Huai, Wenbo, Chu, Tianshu, Wang, Zonghua (2017) Density functional theory prediction of p K a for carboxylated single-wall carbon nanotubes and graphene. Chemical Physics, 490. 47-54 doi:10.1016/j.chemphys.2017.04.004

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleDensity functional theory prediction of p K a for carboxylated single-wall carbon nanotubes and graphene
JournalChemical Physics
AuthorsLi, HaoAuthor
Fu, AipingAuthor
Xue, XuyanAuthor
Guo, FengnaAuthor
Huai, WenboAuthor
Chu, TianshuAuthor
Wang, ZonghuaAuthor
Year2017 (June)Volume490
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2017.04.004Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5964544Long-form Identifiermindat:1:5:5964544:3
GUID0
Full ReferenceLi, Hao, Fu, Aiping, Xue, Xuyan, Guo, Fengna, Huai, Wenbo, Chu, Tianshu, Wang, Zonghua (2017) Density functional theory prediction of p K a for carboxylated single-wall carbon nanotubes and graphene. Chemical Physics, 490. 47-54 doi:10.1016/j.chemphys.2017.04.004
Plain TextLi, Hao, Fu, Aiping, Xue, Xuyan, Guo, Fengna, Huai, Wenbo, Chu, Tianshu, Wang, Zonghua (2017) Density functional theory prediction of p K a for carboxylated single-wall carbon nanotubes and graphene. Chemical Physics, 490. 47-54 doi:10.1016/j.chemphys.2017.04.004
In(n.d.) Chemical Physics Vol. 490. Elsevier BV

See Also

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

Fu, Aiping, Tian, Changke, Li, Hongliang, Li, Ping, Chu, Tianshu, Wang, Zonghua, Liu, Jingquan (2015) A revisit to proline-catalyzed amination under basic conditions: Insight into the key intermediates and stereocontrolling transition state models for the reversal of enantioselectivity. Chemical Physics, 455. 65-72 doi:10.1016/j.chemphys.2015.04.013
Xiao, Li, Wang, Lichang (2006) Density functional theory study of single-wall platinum nanotubes. Chemical Physics Letters, 430. 319-322 doi:10.1016/j.cplett.2006.09.032
Shen, Wei, Li, Feng, Liu, Chang, Yin, Li-chang (2017) Changing the chirality of single-wall carbon nanotubes during epitaxial growth: A density functional theory study. Carbon, 114. 753pp. doi:10.1016/j.carbon.2016.10.077
Fu, Aiping, Li, Hongliang, Zhou, Zhengyu, Feng, Dacheng (2004) Study of the diacetamide–water dimer with ab initio and density functional theory methods. Chemical Physics, 299. 57-66 doi:10.1016/j.chemphys.2003.12.011
Wang, Long, Li, Yifan, Zhou, Xuyan, Li, Tao, Li, Hui (2017) The coalescence of heterogeneous liquid metal on nano substrate. Chemical Physics, 490. 62-66 doi:10.1016/j.chemphys.2017.04.009
Gialampouki, M. A., Lekka, Ch. E. (2011) TiN Decoration of Single-Wall Carbon Nanotubes and Graphene by Density Functional Theory Computations. The Journal of Physical Chemistry C, 115 (31). 15172-15181 doi:10.1021/jp202130g
Xue, Mei, Jia, Jianfeng, Wu, Haishun (2022) A density functional theory study on the catalytic performance of metal (Ni, Pd) single atom, dimer and trimer for H2 dissociation. Chemical Physics, 552. 111336pp. doi:10.1016/j.chemphys.2021.111336
Jia, Guixiao, Li, Junqian, Zhang, Yongfan (2006) Electronic structures and hydrogenation of a chiral single-wall (6,4) carbon nanotube: A density functional theory study. Chemical Physics Letters, 418. 40-45 doi:10.1016/j.cplett.2005.10.096
Wang, Guo, Huang, Yuanhe (2012) Theoretical study on the combined systems of peanut-shaped carbon nanotubes encapsulated in single-walled carbon nanotubes. Chemical Physics, 406. 65-71 doi:10.1016/j.chemphys.2012.08.004
Liu, Wenbo, Liu, Yang, Wang, Rongguo (2014) Prediction of hydrogen storage on Y-decorated graphene: A density functional theory study. Applied Surface Science, 296. 204-208 doi:10.1016/j.apsusc.2014.01.087
Kar, Tapas, Scheiner, Steve, Roy, Ajit K. (2008) The effect on acidity of size and shape of carboxylated single-wall carbon nanotubes. A DFT-SLDB study. Chemical Physics Letters, 460. 225-229 doi:10.1016/j.cplett.2008.06.007
 
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 6, 2025 02:54:52
Go to top of page