Vote for your favorite mineral in #MinCup25! - Calcite vs. Perovskite
This match of heavy hitters is bound to end in heartbreak as classic calcite faces off against futuristic perovskite.
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

Farhat, A., Marques, M.A.L., Abdul-Al, S.N. (2014) Ab initio calculations of the ground and excited states of the YN molecule including spin–orbit effects. Chemical Physics, 429. 33-43 doi:10.1016/j.chemphys.2013.11.017

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleAb initio calculations of the ground and excited states of the YN molecule including spin–orbit effects
JournalChemical Physics
AuthorsFarhat, A.Author
Marques, M.A.L.Author
Abdul-Al, S.N.Author
Year2014 (January)Volume429
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2013.11.017Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5963619Long-form Identifiermindat:1:5:5963619:9
GUID0
Full ReferenceFarhat, A., Marques, M.A.L., Abdul-Al, S.N. (2014) Ab initio calculations of the ground and excited states of the YN molecule including spin–orbit effects. Chemical Physics, 429. 33-43 doi:10.1016/j.chemphys.2013.11.017
Plain TextFarhat, A., Marques, M.A.L., Abdul-Al, S.N. (2014) Ab initio calculations of the ground and excited states of the YN molecule including spin–orbit effects. Chemical Physics, 429. 33-43 doi:10.1016/j.chemphys.2013.11.017
In(n.d.) Chemical Physics Vol. 429. Elsevier BV

See Also

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

Farhat, A., Korek, M., Abdul-Al, S.N., Marques, M.A.L. (2013) Electronic structure with spin orbit calculations of the low-lying electronic states of the molecule YS. Chemical Physics, 412. 109-116 doi:10.1016/j.chemphys.2012.12.011
Farhat, Ayman, Abdul-Al, Saleh N. (2015) Ab initiocalculations of the ground and excited states of the ZrN molecule including spin-orbit effects. Journal of Computational Chemistry, 36 (16). 1252-1258 doi:10.1002/jcc.23921
Farhat, A., Korek, M., Marques, M.A.L., Abdul-Al, S.N. (2012) Ab initio calculation of the low-lying electronic states of the ZrN molecule. Canadian Journal of Chemistry, 90 (7). 631-639 doi:10.1139/v2012-036
Gleichmann, Matthias M., Hess, Bernd A. (1994) Relativistic all‐electron ab initio calculations of ground and excited states of LiHg including spin–orbit effects. The Journal of Chemical Physics, 101 (11). 9691-9700 doi:10.1063/1.467934
Xiao, Huagang, Dong, Shikui, Zhu, Jun, Gao, Tao (2021) Ab initio calculations on the ground and excited electronic states of AsI molecule including spin-orbit coupling. Computational and Theoretical Chemistry, 1197. 113136pp. doi:10.1016/j.comptc.2020.113136
Liu, Yanlei, Zhai, Hongsheng, Zhang, Xiaomei, Liu, Yufang (2013) Ab initio calculation on the low-lying excited states of cation including spin–orbit coupling. Chemical Physics, 425. 156-161 doi:10.1016/j.chemphys.2013.09.002
Korek, M., Abdul-Al, S.N. (2009) Rovibrational study and dipole moment calculation of the molecule YF with spin–orbit interaction. Chemical Physics, 355. 130-134 doi:10.1016/j.chemphys.2008.11.022
Hay, P. Jeffrey (1983) Ab initio studies of excited states of polyatomic molecules including spin‐orbit and multiplet effects: The electronic states of UF6. The Journal of Chemical Physics, 79 (11) 5469-5482 doi:10.1063/1.445665
Harb, Tarek, Abdul-Al, Saleh (2021) Ab initio investigation of the ground and lowest excited states of the YAl molecule. Computational and Theoretical Chemistry, 1194. 113057pp. doi:10.1016/j.comptc.2020.113057
Teichteil, C., Spiegelmann, F. (1983) Ab initio molecular calculations including spin-orbit coupling. II. Molecular test on the InH molecule and application to the g states of the Ar2* excimer. Chemical Physics, 81. 283-296 doi:10.1016/0301-0104(83)85322-1
Ramírez-Solís, A., Poteau, R., Daudey, J. P. (2006) The electronic spectrum of AgCl2: Ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects. The Journal of Chemical Physics, 124 (3). 34307pp. doi:10.1063/1.2145879
 
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 4, 2025 11:01:30
Go to top of page