P. Jeffrey Hay
Affiliations: | Los Alamos National Laboratory, Los Alamos, NM, United States |
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Sign in to add trainee| Jason L. Sonnenberg | grad student | 2002-2004 | LANL |
| Enrique R. Batista | post-doc | LANL |
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Publications
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| Taw FL, Clark AE, Mueller AH, et al. (2012) Titanium(IV) trifluoromethyl complexes: New perspectives on bonding from organometallic fluorocarbon chemistry Organometallics. 31: 1484-1499 |
| Roy LE, Hay PJ, Martin RL. (2008) Revised Basis Sets for the LANL Effective Core Potentials. Journal of Chemical Theory and Computation. 4: 1029-31 |
| Cantat T, Graves CR, Jantunen KC, et al. (2008) Evidence for the involvement of 5f orbitals in the bonding and reactivity of organometallic actinide compounds: thorium(IV) and uranium(IV) bis(hydrazonato) complexes. Journal of the American Chemical Society. 130: 17537-51 |
| Roy LE, Batista ER, Hay PJ. (2008) Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase. Inorganic Chemistry. 47: 9228-37 |
| Kozimor SA, Yang P, Batista ER, et al. (2008) Covalency trends in group IV metallocene dichlorides. chlorine K-edge X-ray absorption spectroscopy and time dependent-density functional theory. Inorganic Chemistry. 47: 5365-71 |
| Graves CR, Yang P, Kozimor SA, et al. (2008) Organometallic uranium(V)-imido halide complexes: from synthesis to electronic structure and bonding. Journal of the American Chemical Society. 130: 5272-85 |
| Shamov GA, Schreckenbach G, Martin RL, et al. (2008) Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study. Inorganic Chemistry. 47: 1465-75 |
| Ping Y, Warnke I, Martin RL, et al. (2008) Theoretical studies of the sp2 versus sp3 C-H bond activation chemistry of 2-picoline by (C5Me5) 2An(CH3)2 complexes (An = Th, U) Organometallics. 27: 1384-1392 |
| Schelter EJ, Yang P, Scott BL, et al. (2007) Systematic studies of early actinide complexes: uranium(IV) fluoroketimides. Inorganic Chemistry. 46: 7477-88 |
| Schelter EJ, Yang P, Scott BL, et al. (2007) Systematic studies of early actinide complexes: thorium(IV) fluoroketimides. Journal of the American Chemical Society. 129: 5139-52 |