Year |
Citation |
Score |
2008 |
Stamatatos TC, Poole KM, Abboud KA, Wernsdorfer W, O'Brien TA, Christou G. High-spin Mn4 and Mn10 molecules: large spin changes with structure in mixed-valence MnII4MnIII6 clusters with azide and alkoxide-based ligands. Inorganic Chemistry. 47: 5006-21. PMID 18454518 DOI: 10.1021/Ic800268Z |
0.316 |
|
2000 |
O'Brien TA, Zerner MC, Rack PD, Holloway B PH. Semiempirical SCF/CI modeling of Ce+3 4f and 5d energy levels in oxygen-doped SrS:Ce Journal of the Electrochemical Society. 147: 792-795. DOI: 10.1149/1.1393273 |
0.403 |
|
1999 |
Rack PD, Holloway PH, O'Brien TA, Zerner MC. Semiempirical Self-Consistent Field Modeling of the Ce+3 4f AND 5d Energy Levels in Solid State Luminescent Materials Mrs Proceedings. 579. DOI: 10.1557/Proc-579-221 |
0.453 |
|
1998 |
O'Brien TA, Rack PD, H. Holloway P, Zerner MC. Crystal field and molecular orbital calculation of the optical transitions in Ce doped alkaline earth sulfide (MgS, CaS, SrS, and BaS) phosphors Journal of Luminescence. 78: 245-257. DOI: 10.1016/S0022-2313(98)00011-8 |
0.433 |
|
Low-probability matches (unlikely to be authored by this person) |
2009 |
Stamatatos TC, Foguet-Albiol D, Poole KM, Wernsdorfer W, Abboud KA, O'Brien TA, Christou G. Spin maximization from S = 11 to S = 16 in Mn(7) disk-like clusters: spin frustration effects and their computational rationalization. Inorganic Chemistry. 48: 9831-45. PMID 19764790 DOI: 10.1021/Ic901393M |
0.28 |
|
2007 |
Tasiopoulos AJ, Milligan PL, Abboud KA, O'Brien TA, Christou G. Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters. Inorganic Chemistry. 46: 9678-91. PMID 17929913 DOI: 10.1021/Ic700994P |
0.263 |
|
2008 |
Taguchi T, Stamatatos TC, Abboud KA, Jones CM, Poole KM, O'Brien TA, Christou G. New Fe4, Fe6, and Fe8 clusters of iron(III) from the use of 2-pyridyl alcohols: structural, magnetic, and computational characterization. Inorganic Chemistry. 47: 4095-108. PMID 18433115 DOI: 10.1021/Ic701756P |
0.245 |
|
2009 |
O'Brien TA, Jones CM. Comparison of Semiempirical ZILSH and DFT Calculations of Exchange Constants in Fe4 Butterfly Complexes. Journal of Chemical Theory and Computation. 5: 68-79. PMID 26609821 DOI: 10.1021/ct700208m |
0.239 |
|
2004 |
Cañada-Vilalta C, Streib WE, Huffman JC, O'Brien TA, Davidson ER, Christou G. Polynuclear manganese complexes with the dicarboxylate ligand m-phenylenedipropionate: a hexanuclear mixed-valence (3Mn(III), 3Mn(IV)) complex. Inorganic Chemistry. 43: 101-15. PMID 14704058 DOI: 10.1021/Ic034973M |
0.235 |
|
2007 |
O'Brien TA, O'Callaghan BJ. Comparison of Semiempirical ZILSH and DFT Calculations of Exchange Constants in the Single Molecule Magnet [Fe8O2(OH)12(tacn)6](8.). Journal of Chemical Theory and Computation. 3: 1275-83. PMID 26633201 DOI: 10.1021/ct7000599 |
0.233 |
|
2004 |
Cañada-Vilalta C, O'Brien TA, Brechin EK, Pink M, Davidson ER, Christou G. Large spin differences in structurally related Fe6 molecular clusters and their magnetostructural explanation. Inorganic Chemistry. 43: 5505-21. PMID 15332801 DOI: 10.1021/Ic049413H |
0.23 |
|
2008 |
Stamatatos TC, Poole KM, Foguet-Albiol D, Abboud KA, O'Brien TA, Christou G. Spin maximization: switching of the usual S = 11 state of Mn(II)4Mn(III)3 disklike complexes to the maximum S = 16. Inorganic Chemistry. 47: 6593-5. PMID 18588288 DOI: 10.1021/Ic801024D |
0.191 |
|
2008 |
Stamatatos TC, Christou AG, Mukherjee S, Poole KM, Lampropoulos C, Abboud KA, O'Brien TA, Christou G. High-yield syntheses and reactivity studies of Fe10 "ferric wheels": structural, magnetic, and computational characterization of a star-shaped Fe8 complex. Inorganic Chemistry. 47: 9021-34. PMID 18698763 DOI: 10.1021/Ic801038R |
0.187 |
|
2003 |
Cañada-Vilalta C, O'Brien TA, Pink M, Davidson ER, Christou G. Methanolysis and phenolysis routes to Fe6, Fe8, and Fe1) complexes and their magnetic properties: a new type of Fe8 ferric wheel. Inorganic Chemistry. 42: 7819-29. PMID 14632497 DOI: 10.1021/Ic034706G |
0.177 |
|
2005 |
Foguet-Albiol D, O'Brien TA, Wernsdorfer W, Moulton B, Zaworotko MJ, Abboud KA, Christou G. DFT computational rationalization of an unusual spin ground state in an Mn12 single-molecule magnet with a low-symmetry loop structure. Angewandte Chemie (International Ed. in English). 44: 897-901. PMID 15624226 DOI: 10.1002/Anie.200461820 |
0.164 |
|
2004 |
Tasiopoulos AJ, O'Brien TA, Abboud KA, Christou G. Mixed transition-metal-lanthanide complexes at higher oxidation states: heteronuclear CeIV-MnIV clusters. Angewandte Chemie (International Ed. in English). 43: 345-9. PMID 14705094 DOI: 10.1002/Anie.200352898 |
0.162 |
|
2007 |
Stamatatos TC, Christou AG, Jones CM, O'Callaghan BJ, Abboud KA, O'Brien TA, Christou G. "Squaring the circle": molecular squares and rectangles from chelate-induced structural transformations of known Fe10 and new Fe12 ferric wheels. Journal of the American Chemical Society. 129: 9840-1. PMID 17645338 DOI: 10.1021/Ja073236C |
0.091 |
|
Hide low-probability matches. |