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

Ciofini, Ilaria, Illas, Francesc, Adamo, Carlo (2004) Performance of the τ-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators. The Journal of Chemical Physics, 120 (8). 3811-3816 doi:10.1063/1.1642592

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitlePerformance of the τ-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators
JournalThe Journal of Chemical Physics
AuthorsCiofini, IlariaAuthor
Illas, FrancescAuthor
Adamo, CarloAuthor
Year2004 (February 22)Volume120
Issue8
PublisherAIP Publishing
DOIdoi:10.1063/1.1642592Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2286906Long-form Identifiermindat:1:5:2286906:5
GUID0
Full ReferenceCiofini, Ilaria, Illas, Francesc, Adamo, Carlo (2004) Performance of the τ-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators. The Journal of Chemical Physics, 120 (8). 3811-3816 doi:10.1063/1.1642592
Plain TextCiofini, Ilaria, Illas, Francesc, Adamo, Carlo (2004) Performance of the τ-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators. The Journal of Chemical Physics, 120 (8). 3811-3816 doi:10.1063/1.1642592
In(2004, February) The Journal of Chemical Physics Vol. 120 (8) AIP Publishing

See Also

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

Pavone, Michele, Barone, Vincenzo, Ciofini, Ilaria, Adamo, Carlo (2004) First-principle molecular dynamics of the Berry pseudorotation: Insights on 19F NMR in SF4. The Journal of Chemical Physics, 120 (19). 9167-9174 doi:10.1063/1.1707012
Wilbraham, Liam, Adamo, Carlo, Ciofini, Ilaria (2018) Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes. The Journal of Chemical Physics, 148 (4). 41103pp. doi:10.1063/1.5019641
Valero, Rosendo, Costa, Ramon, de P. R. Moreira, Ibério, Truhlar, Donald G., Illas, Francesc (2008) Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules. The Journal of Chemical Physics, 128 (11). 114103pp. doi:10.1063/1.2838987
Ciofini, Ilaria, Adamo, Carlo, Barone, Vincenzo (2004) Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: Glycyl radical as a case study. The Journal of Chemical Physics, 121 (14). 6710-6718 doi:10.1063/1.1791031
Illas, Francesc, Martin, Richard L. (1998) Magnetic coupling in ionic solids studied by density functional theory. The Journal of Chemical Physics, 108 (6). 2519-2527 doi:10.1063/1.475636
Fanciullo, Giacomo, Adamo, Carlo, Rivalta, Ivan, Ciofini, Ilaria (2024) Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers. Physical Chemistry Chemical Physics, 26 (36). doi:10.1039/d4cp02147a
Casanovas, Jordi, Illas, Francesc (1994) Pressure dependence of magnetic coupling in ionic solids from abinitio cluster model calculations. The Journal of Chemical Physics, 101 (9). 7683-7685 doi:10.1063/1.468261
Labat, Frédéric, Ciofini, Ilaria, Adamo, Carlo (2009) Modeling ZnO phases using a periodic approach: From bulk to surface and beyond. The Journal of Chemical Physics, 131 (4). 44708pp. doi:10.1063/1.3179752
Rivero, Pablo, Moreira, Ibério de P. R., Illas, Francesc, Scuseria, Gustavo E. (2008) Reliability of range-separated hybrid functionals for describing magnetic coupling in molecular systems. The Journal of Chemical Physics, 129 (18). 184110pp. doi:10.1063/1.3006419
Jacquemin, Denis, Perpète, Eric A., Scalmani, Giovanni, Frisch, Michael J., Assfeld, Xavier, Ciofini, Ilaria, Adamo, Carlo (2006) Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins. The Journal of Chemical Physics, 125 (16). 164324pp. doi:10.1063/1.2361290
Casanovas, Jordi, Illas, Francesc (1994) Anab initiocluster model study of the magnetic coupling in KNiF3. The Journal of Chemical Physics, 100 (11). 8257-8264 doi:10.1063/1.466769
 
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 22, 2025 23:38:11
Go to top of page