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

Colmenero, Francisco, Plášil, Jakub, Škácha, Pavel (2020) The magnesium uranyl tricarbonate octadecahydrate mineral, bayleyite: Periodic DFT study of its crystal structure, hydrogen bonding, mechanical properties and infrared spectrum. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 234. 118216 doi:10.1016/j.saa.2020.118216

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleThe magnesium uranyl tricarbonate octadecahydrate mineral, bayleyite: Periodic DFT study of its crystal structure, hydrogen bonding, mechanical properties and infrared spectrum
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsColmenero, FranciscoAuthor
Plášil, JakubAuthor
Škácha, PavelAuthor
Year2020 (June)Volume234
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2020.118216Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16402043Long-form Identifiermindat:1:5:16402043:6
GUID0
Full ReferenceColmenero, Francisco, Plášil, Jakub, Škácha, Pavel (2020) The magnesium uranyl tricarbonate octadecahydrate mineral, bayleyite: Periodic DFT study of its crystal structure, hydrogen bonding, mechanical properties and infrared spectrum. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 234. 118216 doi:10.1016/j.saa.2020.118216
Plain TextColmenero, Francisco, Plášil, Jakub, Škácha, Pavel (2020) The magnesium uranyl tricarbonate octadecahydrate mineral, bayleyite: Periodic DFT study of its crystal structure, hydrogen bonding, mechanical properties and infrared spectrum. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 234. 118216 doi:10.1016/j.saa.2020.118216
In(2020) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 234. Elsevier BV

See Also

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

Colmenero, Francisco, Plášil, Jakub, Cobos, Joaquín, Sejkora, Jiří, Timón, Vicente, Čejka, Jiří, Bonales, Laura J. (2019) Crystal structure, hydrogen bonding, mechanical properties and Raman spectrum of the lead uranyl silicate monohydrate mineral kasolite. RSC Advances, 9 (27). 15323-15334 doi:10.1039/c9ra02931a
Colmenero, Francisco, Plášil, Jakub, Timón, Vicente, Čejka, Jiří (2020) Full crystal structure, hydrogen bonding and spectroscopic, mechanical and thermodynamic properties of mineral uranopilite. RSC Advances, 10 (53) 31947-31960 doi:10.1039/d0ra04596a
Colmenero, Francisco, Plášil, Jakub, Němec, Ivan (2020) Uranosphaerite: Crystal structure, hydrogen bonding, mechanics, infrared and Raman spectroscopy and thermodynamics. Journal of Physics and Chemistry of Solids, 141. 109400 doi:10.1016/j.jpcs.2020.109400
Colmenero, Francisco, Plášil, Jakub, Sejkora, Jiří (2019) The layered uranyl silicate mineral uranophane-β: crystal structure, mechanical properties, Raman spectrum and comparison with the α-polymorph. Dalton Transactions, 48 (44). 16722-16736 doi:10.1039/c9dt03256h
Plášil, Jakub, Petříček, Václav, Škácha, Pavel (2021) Crystal structure of the uranyl arsenate mineral hügelite, Pb2(UO2)3O2(AsO4)2(H2O)5, revisited: a correct unit cell, twinning and hydrogen bonding. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 77 (3) 378-383 doi:10.1107/s2052520621004091
Colmenero, Francisco, Bonales, Laura J., Cobos, Joaquín, Timón, Vicente (2017) Study of the thermal stability of studtite by in situ Raman spectroscopy and DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 174. 245-253 doi:10.1016/j.saa.2016.11.040
Colmenero, Francisco, Sejkora, Jiří, Plášil, Jakub (2020) Crystal Structure, Infrared Spectrum and Elastic Anomalies in Tuperssuatsiaite. Scientific Reports, 10 (1). doi:10.1038/s41598-020-64481-8
Zheng, Yan-Zhen, Zhou, Yu, Deng, Geng, Guo, Rui, Chen, Da-Fu (2020) A combination of FTIR and DFT to study the microscopic structure and hydrogen-bonding interaction properties of the [BMIM][BF4] and water. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 226. 117624 doi:10.1016/j.saa.2019.117624
Colmenero, Francisco, Plášil, Jakub, Sejkora, Jiří (2020) The crystal structures and mechanical properties of the uranyl carbonate minerals roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite. Inorganic Chemistry Frontiers, 7 (21) 4197-4221 doi:10.1039/d0qi00933d
Kabir, Mohammad Pabel, Orozco-Gonzalez, Yoelvis, Hastings, Gary, Gozem, Samer (2021) The effect of hydrogen-bonding on flavin’s infrared absorption spectrum. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 262. 120110 doi:10.1016/j.saa.2021.120110
Frost, Ray L. (2004) An infrared and Raman spectroscopic study of the uranyl micas. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 60 (7) 1469-1480 doi:10.1016/j.saa.2003.08.013
 
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 17, 2025 10:43:19
Go to top of page