Watch the Dallas Symposium LIVE, and fundraiser auction
Ticket proceeds support mindat.org! - click here...
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

Mohan, Megha, Andersen, Anders B. A., Mareš, Jiří, Jensen, Nicholai Daugaard, Nielsen, Ulla Gro, Vaara, Juha (2023) Unravelling the effect of paramagnetic Ni2+ on the 13C NMR shift tensor for carbonate in Mg2−xNixAl layered double hydroxides by quantum-chemical computations. Physical Chemistry Chemical Physics, 25 (35) 24081-24096 doi:10.1039/d3cp03053a

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleUnravelling the effect of paramagnetic Ni2+ on the 13C NMR shift tensor for carbonate in Mg2−xNixAl layered double hydroxides by quantum-chemical computations
JournalPhysical Chemistry Chemical Physics
AuthorsMohan, MeghaAuthor
Andersen, Anders B. A.Author
Mareš, JiříAuthor
Jensen, Nicholai DaugaardAuthor
Nielsen, Ulla GroAuthor
Vaara, JuhaAuthor
Year2023Volume25
Issue35
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/d3cp03053aSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID16875533Long-form Identifiermindat:1:5:16875533:4
GUID0
Full ReferenceMohan, Megha, Andersen, Anders B. A., Mareš, Jiří, Jensen, Nicholai Daugaard, Nielsen, Ulla Gro, Vaara, Juha (2023) Unravelling the effect of paramagnetic Ni2+ on the 13C NMR shift tensor for carbonate in Mg2−xNixAl layered double hydroxides by quantum-chemical computations. Physical Chemistry Chemical Physics, 25 (35) 24081-24096 doi:10.1039/d3cp03053a
Plain TextMohan, Megha, Andersen, Anders B. A., Mareš, Jiří, Jensen, Nicholai Daugaard, Nielsen, Ulla Gro, Vaara, Juha (2023) Unravelling the effect of paramagnetic Ni2+ on the 13C NMR shift tensor for carbonate in Mg2−xNixAl layered double hydroxides by quantum-chemical computations. Physical Chemistry Chemical Physics, 25 (35) 24081-24096 doi:10.1039/d3cp03053a
In(2023) Physical Chemistry Chemical Physics Vol. 25 (35) Royal Society of Chemistry (RSC)

See Also

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

Jensen, Nicholai Daugaard, Forano, Claude, Pushparaj, Suraj Shiv Charan, Nishiyama, Yusuke, Bekele, Belayneh, Nielsen, Ulla Gro (2018) The distribution of reactive Ni2+ in 2D Mg2−xNixAl-LDH nanohybrid materials determined by solid state 27Al MAS NMR spectroscopy. Physical Chemistry Chemical Physics, 20 (39). 25335-25342 doi:10.1039/c8cp05243c
Andersen, Anders B. A., Pyykkönen, Ari, Jensen, Hans Jørgen Aa., McKee, Vickie, Vaara, Juha, Nielsen, Ulla Gro (2020) Remarkable reversal of 13C-NMR assignment in d1, d2 compared to d8, d9 acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations. Physical Chemistry Chemical Physics, 22 (15) 8048-8059 doi:10.1039/d0cp00980f
Mareš, Jiří, Vaara, Juha (2018) Ab initio paramagnetic NMR shifts via point-dipole approximation in a large magnetic-anisotropy Co(ii) complex. Physical Chemistry Chemical Physics, 20 (35). 22547-22555 doi:10.1039/c8cp04123g
Andersen, Anders B. A., Christiansen, Rasmus Tang, Holm-Janas, Sofie, Manvell, Anna S., Pedersen, Kasper S., Sheptyakov, Denis, Embs, Jan Peter, Jacobsen, Henrik, Dachs, Edgar, Vaara, Juha, Lefmann, Kim, Nielsen, Ulla Gro (2023) The magnetic properties of MAl4(OH)12SO4·3H2O with M = Co2+, Ni2+, and Cu2+ determined by a combined experimental and computational approach. Physical Chemistry Chemical Physics, 25 (4) 3309-3322 doi:10.1039/d2cp05362d
Bekele, Belayneh, Lundehøj, Laura, Jensen, Nicholai Daugaard, Nielsen, Ulla Gro, Forano, Claude (2019) Sequestration of orthophosphate by Ca2Al-NO3 layered double hydroxide – Insight into reactivity and mechanism. Applied Clay Science, 176. 49-57 doi:10.1016/j.clay.2019.04.018
Hilla, Perttu, Vaara, Juha (2023) NMR chemical shift of confined 129Xe: coordination number, paramagnetic channels and molecular dynamics in a cryptophane-A biosensor. Physical Chemistry Chemical Physics, 25 (34) 22719-22733 doi:10.1039/d3cp02695g
Taviot-Guého, Christine, Vialat, Pierre, Leroux, Fabrice, Razzaghi, Fatemeh, Perrot, Hubert, Sel, Ozlem, Jensen, Nicholai Daugaard, Nielsen, Ulla Gro, Peulon, Sophie, Elkaim, Erik, Mousty, Christine (2016) Dynamic Characterization of Inter- and Intralamellar Domains of Cobalt-Based Layered Double Hydroxides upon Electrochemical Oxidation. Chemistry of Materials, 28. 7793-7806 doi:10.1021/acs.chemmater.6b03061
Jensen, Nicholai Daugaard, Duong, Nghia Tuan, Bolanz, Ralph, Nishiyama, Yusuke, Rasmussen, Camilla Aistrup, Gottlicher, Jorg, Steininger, Ralph, Prevot, Vanessa, Nielsen, Ulla Gro (2019) Synthesis and Structural Characterization of a Pure ZnAl4(OH)12(SO4)·2.6H2O Layered Double Hydroxide. Inorganic Chemistry, 58 (9) 6114-6122 doi:10.1021/acs.inorgchem.9b00390
Rantaharju, Jyrki, Mareš, Jiří, Vaara, Juha (2014) Spin dynamics simulation of electron spin relaxation in Ni2 +(aq). The Journal of Chemical Physics, 141 (1). 14109pp. doi:10.1063/1.4885050
Mareš, Jiří, Vaara, Juha (2014) Solvation structure and dynamics of Ni2+(aq) from a polarizable force field. Chemical Physics, 443. 112-122 doi:10.1016/j.chemphys.2014.09.008
Pushparaj, Suraj Shiv Charan, Jensen, Nicholai Daugaard, Forano, Claude, Rees, Gregory J., Prevot, Vanessa, Hanna, John V., Ravnsbæk, Dorthe B., Bjerring, Morten, Nielsen, Ulla Gro (2016) Structural Investigation of Zn(II) Insertion in Bayerite, an Aluminum Hydroxide. Inorganic Chemistry, 55 (18) 9306-9315 doi:10.1021/acs.inorgchem.6b01436
 
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 19, 2025 12:26:34
Go to top of page