Ted A. O’Brien

发表

Determination of the Ce+3 bonding in the Ca0.5Sr0.5Ga2S4:Ce phosphor via x-ray photoelectron spectroscopy

M. Zerner, P. Holloway, P. Rack, 1999 .

DFT computational rationalization of an unusual spin ground state in an Mn12 single-molecule magnet with a low-symmetry loop structure.

W. Wernsdorfer, K. Abboud, M. Zaworotko, 2005, Angewandte Chemie.

Mixed transition-metal-lanthanide complexes at higher oxidation states: heteronuclear CeIV-MnIV clusters.

K. Abboud, A. Tasiopoulos, G. Christou, 2004, Angewandte Chemie.

Large spin differences in structurally related Fe6 molecular clusters and their magnetostructural explanation.

E. Davidson, M. Pink, G. Christou, 2004, Inorganic chemistry.

Comparison of Semiempirical ZILSH and DFT Calculations of Exchange Constants in Fe4 Butterfly Complexes.

Ted A. O’Brien, Candace M Jones, 2009, Journal of chemical theory and computation.

Semiempirical local spin: Theory and implementation of the ZILSH method for predicting Heisenberg exchange constants of polynuclear transition metal complexes

E. Davidson, Ted A. O’Brien, 2003 .

Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters.

K. Abboud, A. Tasiopoulos, G. Christou, 2007, Inorganic chemistry.

High-yield syntheses and reactivity studies of Fe10 "ferric wheels": structural, magnetic, and computational characterization of a star-shaped Fe8 complex.

K. Abboud, G. Christou, C. Lampropoulos, 2008, Inorganic chemistry.

New Fe4, Fe6, and Fe8 clusters of iron(III) from the use of 2-pyridyl alcohols: structural, magnetic, and computational characterization.

K. Abboud, Taketo Taguchi, G. Christou, 2008, Inorganic chemistry.

Methanolysis and phenolysis routes to Fe6, Fe8, and Fe1) complexes and their magnetic properties: a new type of Fe8 ferric wheel.

E. Davidson, M. Pink, G. Christou, 2003, Inorganic chemistry.

Polynuclear manganese complexes with the dicarboxylate ligand m-phenylenedipropionate: a hexanuclear mixed-valence (3Mn(III), 3Mn(IV)) complex.

E. Davidson, G. Christou, J. Huffman, 2004, Inorganic chemistry.

Spin maximization from S = 11 to S = 16 in Mn(7) disk-like clusters: spin frustration effects and their computational rationalization.

W. Wernsdorfer, K. Abboud, G. Christou, 2009, Inorganic chemistry.

Spin maximization: switching of the usual S = 11 state of Mn(II)4Mn(III)3 disklike complexes to the maximum S = 16.

K. Abboud, G. Christou, D. Foguet-Albiol, 2008, Inorganic chemistry.

Comparison of Semiempirical ZILSH and DFT Calculations of Exchange Constants in the Single Molecule Magnet [Fe8O2(OH)12(tacn)6](8.).

Brian J O'Callaghan, Ted A. O’Brien, 2007, Journal of chemical theory and computation.

"Squaring the circle": molecular squares and rectangles from chelate-induced structural transformations of known Fe10 and new Fe12 ferric wheels.

K. Abboud, G. Christou, Brian J O'Callaghan, 2007, Journal of the American Chemical Society.

THEORETICAL COMPARISON OF THE BONDING OF CHALCOCARBONYL LIGANDS

Ted A. O’Brien, J. F. O'brien, J. O'brien, 1998 .

Theoretical Comparison of the Bonding in CpCr(CO)2(NX) [X = O, S, Se, Te]

Craig M. Teague, Ted A. O’Brien, J. F. O'brien, 2002 .

Crystal field and molecular orbital calculation of the optical transitions in Ce doped alkaline earth sulfide (MgS, CaS, SrS, and BaS) phosphors

M. Zerner, P. Holloway, P. Rack, 1998 .

Ground state isoconfigurational mixing in the V2, VNb, and Nb2 molecules

M. Zerner, Ted A. O’Brien, K. Albert, 2000 .

The electronic structure and spectroscopy of V2

M. Zerner, Ted A. O’Brien, K. Albert, 2000 .

High-spin Mn4 and Mn10 molecules: large spin changes with structure in mixed-valence MnII4MnIII6 clusters with azide and alkoxide-based ligands.

W. Wernsdorfer, K. Abboud, G. Christou, 2008, Inorganic chemistry.