Vote for your favorite mineral in #MinCup25! - Topaz vs. Kyanite
It's a battle of high-pressure colourful beauties of #topaz vs #kyanite. Which can stand the heat of round 1?
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

Maldonado, Frank, Novillo, Corina, Stashans, Arvids (2012) Ab initio calculation of chromium oxide containing Ti dopant. Chemical Physics, 393. 148-152 doi:10.1016/j.chemphys.2011.11.038

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleAb initio calculation of chromium oxide containing Ti dopant
JournalChemical Physics
AuthorsMaldonado, FrankAuthor
Novillo, CorinaAuthor
Stashans, ArvidsAuthor
Year2012 (January)Volume393
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.11.038Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5962816Long-form Identifiermindat:1:5:5962816:3
GUID0
Full ReferenceMaldonado, Frank, Novillo, Corina, Stashans, Arvids (2012) Ab initio calculation of chromium oxide containing Ti dopant. Chemical Physics, 393. 148-152 doi:10.1016/j.chemphys.2011.11.038
Plain TextMaldonado, Frank, Novillo, Corina, Stashans, Arvids (2012) Ab initio calculation of chromium oxide containing Ti dopant. Chemical Physics, 393. 148-152 doi:10.1016/j.chemphys.2011.11.038
In(n.d.) Chemical Physics Vol. 393. Elsevier BV

See Also

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

Maldonado, Frank, Rivera, Richard, Stashans, Arvids (2012) Structure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT method. Physica B: Condensed Matter, 407 (8). 1262-1267 doi:10.1016/j.physb.2012.01.116
Stashans, Arvids, Maldonado, Frank (2007) A quantum mechanical study of La-doped Pb(Zr,Ti)O3. Physica B: Condensed Matter, 392 (1). 237-241 doi:10.1016/j.physb.2006.11.026
Maldonado, Frank, Stashans, Arvids (2010) Al-doped ZnO: Electronic, electrical and structural properties. Journal of Physics and Chemistry of Solids, 71. 784-787 doi:10.1016/j.jpcs.2010.02.001
Stashans, Arvids, Bermeo, Sthéfano (2009) Al-bound hole polarons in TiO2. Chemical Physics, 363. 100-103 doi:10.1016/j.chemphys.2009.08.006
Maldonado, Frank, Stashans, Arvids (2017) DFT study of Ag and La codoped BaTiO 3. Journal of Physics and Chemistry of Solids, 102. 136-141 doi:10.1016/j.jpcs.2016.11.016
Maldonado, Frank, Stashans, Arvids (2016) DFT modelling of hydrogen sulphide adsorption on α-Cr2O3 (0001) surface. Surface Science, 647. 78-83 doi:10.1016/j.susc.2015.12.033
Maldonado, Frank, Maza, Luz, Stashans, Arvids (2017) Electronic properties of Cr-, B-doped and codoped SrTiO3. Journal of Physics and Chemistry of Solids, 100. 1-8 doi:10.1016/j.jpcs.2016.09.003
Soldán, Pavel, Kraemer, Wolfgang P. (2012) Molecular ion LiHe+: ab initio study. Chemical Physics, 393. 135-139 doi:10.1016/j.chemphys.2011.11.040
Maldonado, Frank, Stashans, Arvids (2009) Simulation of pure and defective wurtzite-type ZnO. Physica Scripta, 80 (6). 65601pp. doi:10.1088/0031-8949/80/06/065601
MALDONADO, FRANK, STASHANS, ARVIDS (2016) DFT MODELING OF BENZOYL PEROXIDE ADSORPTION ON α-Cr2O3 (0001) SURFACE. Surface Review and Letters, 23 (5). 1650037pp. doi:10.1142/s0218625x16500372
Rivera, Richard, Stashans, Arvids (2010) Ti-doped α-Fe2O3 by quantum-chemical modeling. Solid State Sciences, 12 (8) 1409-1412 doi:10.1016/j.solidstatesciences.2010.05.019
 
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 13, 2025 05:53:00
Go to top of page