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.
143 related articles for article (PubMed ID: 21134606)
21. Calibration of DFT Functionals for the Prediction of Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential. Sandala GM; Hopmann KH; Ghosh A; Noodleman L J Chem Theory Comput; 2011 Oct; 7(10):3232-3247. PubMed ID: 22039359 [TBL] [Abstract][Full Text] [Related]
22. Electronic structure of some substituted iron(II) porphyrins. Are they intermediate or high spin? Liao MS; Watts JD; Huang MJ J Phys Chem A; 2007 Jul; 111(26):5927-35. PubMed ID: 17559200 [TBL] [Abstract][Full Text] [Related]
23. 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]
24. Assessment of electronic structure methods for the determination of the ground spin states of Fe(ii), Fe(iii) and Fe(iv) complexes. Verma P; Varga Z; Klein JEMN; Cramer CJ; Que L; Truhlar DG Phys Chem Chem Phys; 2017 May; 19(20):13049-13069. PubMed ID: 28484765 [TBL] [Abstract][Full Text] [Related]
25. Modulation of metal displacements in a saddle distorted macrocycle: synthesis, structure, and properties of high-spin Fe(III) porphyrins and implications for the hemoproteins. Patra R; Chaudhary A; Ghosh SK; Rath SP Inorg Chem; 2008 Sep; 47(18):8324-35. PubMed ID: 18700752 [TBL] [Abstract][Full Text] [Related]
26. The electronic structure of iron corroles: a combined experimental and quantum chemical study. Ye S; Tuttle T; Bill E; Simkhovich L; Gross Z; Thiel W; Neese F Chemistry; 2008; 14(34):10839-51. PubMed ID: 18956397 [TBL] [Abstract][Full Text] [Related]
27. Magnetic resonance spectroscopic investigations of the electronic ground and excited states in strongly nonplanar iron(III) dodecasubstituted porphyrins. Yatsunyk LA; Shokhirev NV; Walker FA Inorg Chem; 2005 Apr; 44(8):2848-66. PubMed ID: 15819574 [TBL] [Abstract][Full Text] [Related]
28. Comparison of electronic structures and light-induced excited spin state trapping between [Fe(2-picolylamine)(3)](2+) and its iron(III) analogue. Ando H; Nakao Y; Sato H; Sakaki S Dalton Trans; 2010 Feb; 39(7):1836-45. PubMed ID: 20449430 [TBL] [Abstract][Full Text] [Related]
30. Density functional theory study of trans-dioxo complexes of iron, ruthenium, and osmium with saturated amine ligands, trans-[M(O)2(NH3)2(NMeH2)2]2+ (M=Fe, Ru, Os), and detection of [Fe(qpy)(O)2]n+ (n=1, 2) by high-resolution ESI mass spectrometry. Tong GS; Wong EL; Che CM Chemistry; 2008; 14(18):5495-506. PubMed ID: 18478515 [TBL] [Abstract][Full Text] [Related]
31. Spin-state energetics and spin-crossover behavior of pseudotetrahedral cobalt(III)-imido complexes. The role of the tripodal supporting ligand. Wasbotten IH; Ghosh A Inorg Chem; 2007 Sep; 46(19):7890-8. PubMed ID: 17713903 [TBL] [Abstract][Full Text] [Related]
32. Bioinorganic chemistry modeled with the TPSSh density functional. Jensen KP Inorg Chem; 2008 Nov; 47(22):10357-65. PubMed ID: 18855376 [TBL] [Abstract][Full Text] [Related]
33. Comparison of density functionals for differences between the high- (5T2g) and low- (1A1g) spin states of iron(II) compounds. IV. Results for the ferrous complexes [Fe(L)('NHS4')]. Ganzenmüller G; Berkaïne N; Fouqueau A; Casida ME; Reiher M J Chem Phys; 2005 Jun; 122(23):234321. PubMed ID: 16008455 [TBL] [Abstract][Full Text] [Related]
34. Kinetic simulation studies on the transient formation of the oxo-iron(IV) porphyrin radical cation during the reaction of iron(III) tetrakis-5,10,15,20-(N-methyl-4-pyridyl)-porphyrin with hydrogen peroxide in aqueous solution. Saha TK; Karmaker S; Tamagake K Luminescence; 2003; 18(5):259-67. PubMed ID: 14587077 [TBL] [Abstract][Full Text] [Related]
35. NMR and EPR studies of low-spin Fe(III) complexes of meso-tetra-(2,6-disubstituted phenyl)porphyrinates complexed to imidazoles and pyridines of widely differing basicities. Watson CT; Cai S; Shokhirev NV; Walker FA Inorg Chem; 2005 Oct; 44(21):7468-84. PubMed ID: 16212373 [TBL] [Abstract][Full Text] [Related]
36. Relative energy of the high-(5T2g) and low-(1A1g) spin states of the ferrous complexes [Fe(L)(NHS4)]: CASPT2 versus density functional theory. Pierloot K; Vancoillie S J Chem Phys; 2008 Jan; 128(3):034104. PubMed ID: 18205485 [TBL] [Abstract][Full Text] [Related]