These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
482 related articles for article (PubMed ID: 17999488)
1. Predicting exchange coupling constants in frustrated molecular magnets using density functional theory. Rudra I; Wu Q; Van Voorhis T Inorg Chem; 2007 Dec; 46(25):10539-48. PubMed ID: 17999488 [TBL] [Abstract][Full Text] [Related]
2. Accurate magnetic exchange couplings in transition-metal complexes from constrained density-functional theory. Rudra I; Wu Q; Van Voorhis T J Chem Phys; 2006 Jan; 124(2):024103. PubMed ID: 16422567 [TBL] [Abstract][Full Text] [Related]
3. Calculation of exchange coupling constants of transition metal complexes with DFT. Comba P; Hausberg S; Martin B J Phys Chem A; 2009 Jun; 113(24):6751-5. PubMed ID: 19469514 [TBL] [Abstract][Full Text] [Related]
4. A new quantum chemical approach to the magnetic properties of oligonuclear transition-metal complexes: application to a model for the tetranuclear manganese cluster of photosystem II. Pantazis DA; Orio M; Petrenko T; Zein S; Bill E; Lubitz W; Messinger J; Neese F Chemistry; 2009; 15(20):5108-23. PubMed ID: 19326375 [TBL] [Abstract][Full Text] [Related]
5. Combined ligand field and density functional theory analysis of the magnetic anisotropy in oligonuclear complexes based on Fe(III)-CN-M(II) exchange-coupled pairs. Atanasov M; Comba P; Daul CA Inorg Chem; 2008 Apr; 47(7):2449-63. PubMed ID: 18302331 [TBL] [Abstract][Full Text] [Related]
6. Broken symmetry approach to density functional calculation of magnetic anisotropy or zero field splittings for multinuclear complexes with antiferromagnetic coupling. van Wüllen C J Phys Chem A; 2009 Oct; 113(43):11535-40. PubMed ID: 19708660 [TBL] [Abstract][Full Text] [Related]
7. Calculating the electron paramagnetic resonance parameters of exchange coupled transition metal complexes using broken symmetry density functional theory: application to a MnIII/MnIV model compound. Sinnecker S; Neese F; Noodleman L; Lubitz W J Am Chem Soc; 2004 Mar; 126(8):2613-22. PubMed ID: 14982471 [TBL] [Abstract][Full Text] [Related]
8. Density functional theory study of the structural, electronic, and magnetic properties of a mu-oxo bridged dinuclear Fe(IV) complex based on a tetra-amido macrocyclic ligand. Chanda A; de Oliveira FT; Collins TJ; Münck E; Bominaar EL Inorg Chem; 2008 Oct; 47(20):9372-9. PubMed ID: 18817379 [TBL] [Abstract][Full Text] [Related]
9. Mechanism of a strongly anisotropic MoIII-CN-MnII spin-spin coupling in molecular magnets based on the [Mo(CN)(7)](4-) heptacyanometalate: a new strategy for single-molecule magnets with high blocking temperatures. Mironov VS; Chibotaru LF; Ceulemans A J Am Chem Soc; 2003 Aug; 125(32):9750-60. PubMed ID: 12904041 [TBL] [Abstract][Full Text] [Related]
10. Computational studies of the H-cluster of Fe-only hydrogenases: geometric, electronic, and magnetic properties and their dependence on the [Fe4S4] cubane. Fiedler AT; Brunold TC Inorg Chem; 2005 Dec; 44(25):9322-34. PubMed ID: 16323916 [TBL] [Abstract][Full Text] [Related]
11. A star-shaped heteronuclear Cr(III)Mn(II)3 species and its precise electronic and magnetic structure: spin frustration studied by X-ray spectroscopic, magnetic, and theoretical methods. Prinz M; Kuepper K; Taubitz C; Raekers M; Khanra S; Biswas B; Weyhermüller T; Uhlarz M; Wosnitza J; Schnack J; Postnikov AV; Schröder C; George SJ; Neumann M; Chaudhuri P Inorg Chem; 2010 Mar; 49(5):2093-102. PubMed ID: 20108916 [TBL] [Abstract][Full Text] [Related]
12. Magnetic and spectroscopic properties of mixed valence manganese(III,IV) dimers: a systematic study using broken symmetry density functional theory. Orio M; Pantazis DA; Petrenko T; Neese F Inorg Chem; 2009 Aug; 48(15):7251-60. PubMed ID: 19722694 [TBL] [Abstract][Full Text] [Related]
13. Ferromagnetic coupling in hexanuclear gadolinium clusters. Sweet LE; Roy LE; Meng F; Hughbanks T J Am Chem Soc; 2006 Aug; 128(31):10193-201. PubMed ID: 16881649 [TBL] [Abstract][Full Text] [Related]
14. Exchange interactions in systems with multiple magnetic sites. Paul S; Misra A J Phys Chem A; 2010 Jun; 114(24):6641-7. PubMed ID: 20496941 [TBL] [Abstract][Full Text] [Related]
15. Symmetry and broken-symmetry in molecular orbital descriptions of unstable molecules. 3. The nature of chemical bonds of spin frustrated systems. Kawakami T; Takeda R; Nishihara S; Saito T; Shoji M; Yamada S; Yamanaka S; Kitagawa Y; Okumura M; Yamaguchi K J Phys Chem A; 2009 Dec; 113(52):15281-97. PubMed ID: 19908878 [TBL] [Abstract][Full Text] [Related]
16. Theoretical study of the relationship between the nearest-neighbor exchange coupling interactions and the number of peripheral complexes in the cyano-bridged CrMn6(CN)6 and CrMn2(CN)2 clusters. Zhang YQ; Luo CL J Phys Chem A; 2006 Apr; 110(15):5096-101. PubMed ID: 16610830 [TBL] [Abstract][Full Text] [Related]
17. Magnetic properties of largest-spin single molecule magnets: Mn17 complexes--a density functional theory approach. Cremades E; Ruiz E Inorg Chem; 2010 Oct; 49(20):9641-8. PubMed ID: 20857997 [TBL] [Abstract][Full Text] [Related]
18. Ab initio study of the magnetic exchange coupling constants of a structural model [CaMn(3)(III)Mn(II)] of the oxygen evolving center in photosystem II. Fliegl H; Fink K; Klopper W; Anson CE; Powell AK; Clérac R Phys Chem Chem Phys; 2009 May; 11(20):3900-9. PubMed ID: 19440618 [TBL] [Abstract][Full Text] [Related]
19. Mapping the d-d excited-state manifolds of transition metal beta-diiminato-imido complexes. Comparison of density functional theory and CASPT2 energetics. Ghosh A; Gonzalez E; Tangen E; Roos BO J Phys Chem A; 2008 Dec; 112(50):12792-8. PubMed ID: 18433111 [TBL] [Abstract][Full Text] [Related]
20. Exchange coupling and magnetic anisotropy of exchanged-biased quantum tunnelling single-molecule magnet Ni3Mn2 complexes using theoretical methods based on Density Functional Theory. Gómez-Coca S; Ruiz E Dalton Trans; 2012 Mar; 41(9):2659-66. PubMed ID: 22246318 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]