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

Bühl, Michael, Schreckenbach, Georg, Sieffert, Nicolas, Wipff, Georges (2009) Effect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study. Inorganic Chemistry, 48 (21) 9977-9979 doi:10.1021/ic901298q

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleEffect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study
JournalInorganic Chemistry
AuthorsBühl, MichaelAuthor
Schreckenbach, GeorgAuthor
Sieffert, NicolasAuthor
Wipff, GeorgesAuthor
Year2009 (November 2)Volume48
Issue21
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ic901298qSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID1551623Long-form Identifiermindat:1:5:1551623:5
GUID0
Full ReferenceBühl, Michael, Schreckenbach, Georg, Sieffert, Nicolas, Wipff, Georges (2009) Effect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study. Inorganic Chemistry, 48 (21) 9977-9979 doi:10.1021/ic901298q
Plain TextBühl, Michael, Schreckenbach, Georg, Sieffert, Nicolas, Wipff, Georges (2009) Effect of Counterions on the Structure and Stability of Aqueous Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study. Inorganic Chemistry, 48 (21) 9977-9979 doi:10.1021/ic901298q
In(2009, November) Inorganic Chemistry Vol. 48 (21) American Chemical Society (ACS)

See Also

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

Bühl, Michael, Sieffert, Nicolas, Wipff, Georges (2009) Density functional study of aqueous uranyl(VI) fluoride complexes. Chemical Physics Letters, 467. 287-293 doi:10.1016/j.cplett.2008.11.015
Bühl, Michael, Diss, Romain, Wipff, Georges (2007) Coordination Mode of Nitrate in Uranyl(VI) Complexes:  A First-Principles Molecular Dynamics Study. Inorganic Chemistry, 46 (13) 5196-5206 doi:10.1021/ic0622555
Bühl, Michael, Sieffert, Nicolas, Chaumont, Alain, Wipff, Georges (2011) Water versus Acetonitrile Coordination to Uranyl. Density Functional Study of Cooperative Polarization Effects in Solution. Inorganic Chemistry, 50 (1) 299-308 doi:10.1021/ic101950d
Bühl, Michael, Kabrede, Hendrik, Diss, Romain, Wipff, Georges (2006) Effect of Hydration on Coordination Properties of Uranyl(VI) Complexes. A First-Principles Molecular Dynamics Study. Journal Of The American Chemical Society, 128 (19) 6357-6368 doi:10.1021/ja057301z
Bühl, Michael, Sieffert, Nicolas, Chaumont, Alain, Wipff, Georges (2012) Water versus Acetonitrile Coordination to Uranyl. Effect of Chloride Ligands. Inorganic Chemistry, 51 (3) 1943-1952 doi:10.1021/ic202270u
Bühl, Michael, Sieffert, Nicolas, Golubnychiy, Volodymyr, Wipff, Georges (2008) Density Functional Theory Study of Uranium(VI) Aquo Chloro Complexes in Aqueous Solution. The Journal of Physical Chemistry A, 112 (11). 2428-2436 doi:10.1021/jp710093w
Sieffert, Nicolas, Bühl, Michael (2009) Noncovalent Interactions in a Transition-Metal Triphenylphosphine Complex: a Density Functional Case Study†. Inorganic Chemistry, 48 (11) 4622-4624 doi:10.1021/ic900347e
Sieffert, Nicolas, Wipff, Georges (2008) On the Importance of the Aqueous Interface in the Multiphasic Rhodium Catalyzed Hydroformylation of Propene: a Molecular Dynamics Study. The Journal of Physical Chemistry C, 112 (38). 14891-14901 doi:10.1021/jp803546e
Bühl, Michael, Sieffert, Nicolas, Partouche, Aurélie, Chaumont, Alain, Wipff, Georges (2012) Speciation of La(III) Chloride Complexes in Water and Acetonitrile: A Density Functional Study. Inorganic Chemistry, 51 (24) 13396-13407 doi:10.1021/ic302255a
Bühl, Michael, Schreckenbach, Georg (2010) Oxygen Exchange in Uranyl Hydroxide via Two “Nonclassical” Ions. Inorganic Chemistry, 49 (8) 3821-3827 doi:10.1021/ic902508z
Sieffert, Nicolas, Wipff, Georges (2006) Comparing an Ionic Liquid to a Molecular Solvent in the Cesium Cation Extraction by a Calixarene:  A Molecular Dynamics Study of the Aqueous Interfaces. The Journal of Physical Chemistry B, 110 (39). 19497-19506 doi:10.1021/jp063045g
 
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: August 27, 2025 13:37:27
Go to top of page