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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

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Reference TypeJournal (article/letter/editorial)
TitleAnab initiocluster model study of the magnetic coupling in KNiF3
JournalThe Journal of Chemical Physics
AuthorsCasanovas, JordiAuthor
Illas, FrancescAuthor
Year1994 (June)Volume100
Issue11
PublisherAIP Publishing
DOIdoi:10.1063/1.466769Search in ResearchGate
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Mindat Ref. ID2208093Long-form Identifiermindat:1:5:2208093:2
GUID0
Full ReferenceCasanovas, 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
Plain TextCasanovas, 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
In(1994, June) The Journal of Chemical Physics Vol. 100 (11) AIP Publishing

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Casanovas, Jordi, Illas, Francesc (1994) Ground and excited states ofKNiF3: Anab initiocluster-model approach. Physical Review B, 50 (6) 3789-3798 doi:10.1103/physrevb.50.3789
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
Casanovas, Jordi, Rubio, Jaime, Illas, Francesc (1996) Origin of magnetic coupling inLa2CuO4. Physical Review B, 53 (2) 945-951 doi:10.1103/physrevb.53.945
Casanovas, Jordi, Rubio, Jaime, Illas, Francesc (1991) Differential correlation effects in chemisorption cluster model calculations: an FCI study. Chemical Physics Letters, 180. 578-582 doi:10.1016/0009-2614(91)85013-m
Bagus, Paul S., Illas, Francesc, Casanovas, Jordi (1997) The importance of 2s bonding contributions for the core level binding energies in organic compounds. Chemical Physics Letters, 272. 168-172 doi:10.1016/s0009-2614(97)88004-9
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
Casanovas, Jordi, Illas, Francesc, Pacchioni, Gianfranco (2000) Ab initio calculations of 29Si solid state NMR chemical shifts of silane and silanol groups in silica. Chemical Physics Letters, 326. 523-529 doi:10.1016/s0009-2614(00)00818-6
Ciofini, Ilaria, Illas, Francesc, Adamo, Carlo (2004) Performance of the Ï„-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
Bagus, P. S., Illas, F., Sousa, C. (1994) Excited states of MgO: A cluster model study. The Journal of Chemical Physics, 100 (4). 2943-2946 doi:10.1063/1.466436
Shoemaker, James, Burggraf, Larry W., Gordon, Mark S. (2000) Anab initiocluster study of the structure of the Si(001) surface. The Journal of Chemical Physics, 112 (6). 2994-3005 doi:10.1063/1.480930
Casanovas, Jordi, Ricart, Josep Manel, Rubio, Jaime, Illas, Francesc, Jiménez-Mateos, Juan Miguel (1996) Origin of the Large N 1s Binding Energy in X-ray Photoelectron Spectra of Calcined Carbonaceous Materials. Journal Of The American Chemical Society, 118 (34) 8071-8076 doi:10.1021/ja960338m
 
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