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697 related items for PubMed ID: 20028109
21. Ab initio and coupled-perturbed density functional theory estimation of zero-field splittings in MnII transition metal complexes. Zein S, Neese F. J Phys Chem A; 2008 Aug 28; 112(34):7976-83. PubMed ID: 18681414 [Abstract] [Full Text] [Related]
22. Electronic structure of square planar bis(benzene-1,2-dithiolato)metal complexes [M(L)(2)](z) (z = 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): an experimental, density functional, and correlated ab initio study. Ray K, Weyhermüller T, Neese F, Wieghardt K. Inorg Chem; 2005 Jul 25; 44(15):5345-60. PubMed ID: 16022533 [Abstract] [Full Text] [Related]
23. Trivalent iron and ruthenium complexes with a redox noninnocent (2-mercaptophenylimino)-methyl-4,6-di-tert-butylphenolate(2-) ligand. Roy N, Sproules S, Weyhermüller T, Wieghardt K. Inorg Chem; 2009 Apr 20; 48(8):3783-91. PubMed ID: 19361249 [Abstract] [Full Text] [Related]
24. Synthesis, structure, and spectroscopic properties of chiral oxorhenium(V) complexes incorporating polydentate ligands derived from L-amino acids: a density functional theory/time-dependent density functional theory investigation. Basak S, Rajak KK. Inorg Chem; 2008 Oct 06; 47(19):8813-22. PubMed ID: 18729447 [Abstract] [Full Text] [Related]
25. Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicals-a density functional and ab initio study. Sinnecker S, Neese F. J Phys Chem A; 2006 Nov 09; 110(44):12267-75. PubMed ID: 17078624 [Abstract] [Full Text] [Related]
26. Cationic bis-cyclometallated iridium(III) phenanthroline complexes with pendant fluorenyl substituents: synthesis, redox, photophysical properties and light-emitting cells. Zeng X, Tavasli M, Perepichka IF, Batsanov AS, Bryce MR, Chiang CJ, Rothe C, Monkman AP. Chemistry; 2008 Nov 09; 14(3):933-43. PubMed ID: 18033698 [Abstract] [Full Text] [Related]
27. Pseudooctahedral complexes of vanadium(III): electronic structure investigation by magnetic and electronic spectroscopy. Krzystek J, Fiedler AT, Sokol JJ, Ozarowski A, Zvyagin SA, Brunold TC, Long JR, Brunel LC, Telser J. Inorg Chem; 2004 Sep 06; 43(18):5645-58. PubMed ID: 15332816 [Abstract] [Full Text] [Related]
28. Electronic structure of 2,2'-bipyridine organotransition-metal complexes. Establishing the ligand oxidation level by density functional theoretical calculations. Scarborough CC, Wieghardt K. Inorg Chem; 2011 Oct 17; 50(20):9773-93. PubMed ID: 21678919 [Abstract] [Full Text] [Related]
29. Vanadium-iron-sulfur clusters containing the cubane-type [VFe3S4] core unit: synthesis of a cluster with the topology of the PN cluster of nitrogenase. Zuo JL, Zhou HC, Holm RH. Inorg Chem; 2003 Jul 28; 42(15):4624-31. PubMed ID: 12870953 [Abstract] [Full Text] [Related]
30. Electronic structure and spectroscopy of "superoxidized" iron centers in model systems: theoretical and experimental trends. Berry JF, DeBeer George S, Neese F. Phys Chem Chem Phys; 2008 Aug 14; 10(30):4361-74. PubMed ID: 18654674 [Abstract] [Full Text] [Related]
31. Importance of direct spin-spin coupling and spin-flip excitations for the zero-field splittings of transition metal complexes: a case study. Neese F. J Am Chem Soc; 2006 Aug 09; 128(31):10213-22. PubMed ID: 16881651 [Abstract] [Full Text] [Related]
32. Electronic structure of four-coordinate C3v nickel(II) scorpionate complexes: investigation by high-frequency and -field electron paramagnetic resonance and electronic absorption spectroscopies. Desrochers PJ, Telser J, Zvyagin SA, Ozarowski A, Krzystek J, Vicic DA. Inorg Chem; 2006 Oct 30; 45(22):8930-41. PubMed ID: 17054352 [Abstract] [Full Text] [Related]
33. Structural characterization and electronic properties determination by high-field and high-frequency EPR of a series of five-coordinated Mn(II) complexes. Mantel C, Baffert C, Romero I, Deronzier A, Pécaut J, Collomb MN, Duboc C. Inorg Chem; 2004 Oct 04; 43(20):6455-63. PubMed ID: 15446897 [Abstract] [Full Text] [Related]
34. Nanomodulation of molecular nanomagnets. Feng PL, Koo C, Henderson JJ, Manning P, Nakano M, del Barco E, Hill S, Hendrickson DN. Inorg Chem; 2009 Apr 20; 48(8):3480-92. PubMed ID: 19361247 [Abstract] [Full Text] [Related]
35. Monoanionic molybdenum and tungsten tris(dithiolene) complexes: a multifrequency EPR study. Sproules S, Banerjee P, Weyhermüller T, Yan Y, Donahue JP, Wieghardt K. Inorg Chem; 2011 Aug 01; 50(15):7106-22. PubMed ID: 21699192 [Abstract] [Full Text] [Related]
36. Reduced N-alkyl substituted bis(imino)pyridine cobalt complexes: molecular and electronic structures for compounds varying by three oxidation states. Bowman AC, Milsmann C, Bill E, Lobkovsky E, Weyhermüller T, Wieghardt K, Chirik PJ. Inorg Chem; 2010 Jul 05; 49(13):6110-23. PubMed ID: 20540554 [Abstract] [Full Text] [Related]
37. Structural and magnetic properties of Mn(III) and Cu(II) tetranuclear azido polyoxometalate complexes: multifrequency high-field EPR spectroscopy of Cu4 clusters with S = 1 and S = 2 ground states. Mialane P, Duboc C, Marrot J, Rivière E, Dolbecq A, Sécheresse F. Chemistry; 2006 Feb 20; 12(7):1950-9. PubMed ID: 16475214 [Abstract] [Full Text] [Related]
38. A high-spin organometallic Fe-S compound: structural and Mössbauer spectroscopic studies of [phenyltris((tert-butylthio)methyl)borate]Fe(Me). Popescu CV, Mock MT, Stoian SA, Dougherty WG, Yap GP, Riordan CG. Inorg Chem; 2009 Sep 07; 48(17):8317-24. PubMed ID: 19642622 [Abstract] [Full Text] [Related]
39. Electronic structure and FeNO conformation of nonheme iron-thiolate-NO complexes: an experimental and DFT study. Conradie J, Quarless DA, Hsu HF, Harrop TC, Lippard SJ, Koch SA, Ghosh A. J Am Chem Soc; 2007 Aug 29; 129(34):10446-56. PubMed ID: 17685516 [Abstract] [Full Text] [Related]