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List of Publications

Rolke J, Zheng Y, Brion CE, Shi Z, Wolfe S, Davidson ER. Orbital imaging and assessment of different orbital models for the valence shell of methanol - Comparison of electron momentum spectroscopy measurements with near-Hartree-Fock limit, MRSD-CI, localized valence bond and density functional theory. Chem Phys. 1999;244:1-24. Abstract

Zheng Y, Pang WN, Shang RC, Chen XJ, Brion CE, Ghanty TK, et al. Orbital momentum profiles and binding energy spectra for the complete valence shell of propane. J Chem Phys. 1999;111:9526-35. Abstract

Rolke J, Zheng Y, Brion CE, Wang YA, Davidson ER. Valence orbital electron momentum distributions for oxygen: comparison of EMS measurements with theory. Chem Phys. 1998;230:153-86. Abstract

Rolke J, Zheng Y, Brion CE, Chakravorty SJ, Davidson ER, McCarthy IE. Imaging of the HOMO electron density in Cr(CO)(6), Mo(CO)(6) and W(CO)(6) by electron momentum spectroscopy: A comparison with Hartree-Fock and DFT calculations. Chem Phys. 1997;215:191-205. Abstract

Lermer N, Todd BR, Cann NM, Zheng Y, Brion CE, Yang Z, et al. Electron momentum spectroscopy of H-2 and D-2: Ionization to ground and excited final states. Phys Rev A. 1997;56:1393-402. Abstract

Fan XW, Chen XJ, Zhou SJ, Zheng Y, Brion CE, Frey R, et al. Imaging of the outer valence orbitals of CO by electron momentum spectroscopy - Comparison with high level MRSD-CI and DFT calculations. Chem Phys Lett. 1997;276:346-52. Abstract

Zheng Y, Brion CE, Brunger MJ, Zhao K, Grisogono AM, Braidwood S, et al. Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine. Chem Phys. 1996;212:269-300. Abstract

Lermer N, Todd BR, Cann NM, Brion CE, Zheng Y, Chakravorty S, et al. Electron momentum spectroscopy experiments and calculations for the production of excited states of He+ and H-2(+). Can J Phys. 1996;74:748-56. Abstract

Rolke J, Cann N, Zheng Y, Hollebone BP, Brion CE, Wang YA, et al. MOMENTUM PROFILES FOR OPEN-SHELL MOLECULES - STUDIES OF THE HOMOS OF NO, O-2, AND NO2 BY ELECTRON MOMENTUM SPECTROSCOPY AND SCF, POST-HARTREE-FOCK AND DFT CALCULATIONS. Chem Phys. 1995;201:1-21. Abstract

Hollebone BP, Neville JJ, Zheng Y, Brion CE, Wang Y, Davidson ER. VALENCE ELECTRON MOMENTUM DISTRIBUTIONS OF ETHYLENE - COMPARISON OF EMS MEASUREMENTS WITH NEAR HARTREE-FOCK LIMIT, CONFIGURATION-INTERACTION AND DENSITY-FUNCTIONAL THEORY CALCULATIONS. Chem Phys. 1995;196:13-35. Abstract

Recently Added

Ross A, Soares DC, Covelli D, Pannecouque C, Budd L, Collins A, et al. Oxovanadium(IV) cyclam and bicyclam complexes: potential CXCR4 receptor antagonists. Inorg Chem. 2010;49(3):1122-32. Abstract

Delgado-Jaime MU, Mewis CP, Kennepohl P. Blueprint XAS: a Matlab-based toolbox for the fitting and analysis of XAS spectra. J Synchrotron Radiat. 2010;17(1):132-7. Abstract

Bates JI, Kennepohl P, Gates DP. Abnormal reactivity of an N-heterocyclic carbene (NHC) with a phosphaalkene: a route to a 4-phosphino-substituted NHC. Angew Chem Int Ed Engl. 2009;48(52):9844-7.

Sriskandakumar T, Petzold H, Bruijnincx PC, Habtemariam A, Sadler PJ, Kennepohl P. Influence of oxygenation on the reactivity of ruthenium-thiolato bonds in arene anticancer complexes: insights from XAS and DFT. J Am Chem Soc. 2009;131(37):13355-61. Abstract

Kennepohl P, Wasinger EC, DeBeer George S. X-ray spectroscopic approaches to the investigation and characterization of photochemical processes. J Synchrotron Radiat. 2009;16(Pt 4):484-8. Abstract

Karunakaran-Datt A, Kennepohl P. Redox photochemistry of methionine by sulfur K-edge X-ray absorption spectroscopy: potential implications for cataract formation. J Am Chem Soc. 2009;131(10):3577-82. Abstract

Martin-Diaconescu V, Kennepohl P. Effects of hyperconjugation on the electronic structure and photoreactivity of organic sulfonyl chlorides. Inorg Chem. 2009;48(3):1038-44. Abstract

Praetorius JM, Allen DP, Wang R, Webb JD, Grein F, Kennepohl P, et al. N-heterocyclic carbene complexes of Rh: reaction with dioxygen without oxidation. J Am Chem Soc. 2008;130(12):3724-5. Abstract

Getty K, Delgado-Jaime MU, Kennepohl P. Assignment of Pre-edge Features in the Ru K-edge X-ray Absorption Spectra of Organometallic Ruthenium Complexes. Inorganica Chim Acta. 2008;361(4):1059. Abstract

Getty K, Delgado-Jaime MU, Kennepohl P. An electronic rationale for observed initiation rates in ruthenium-mediated olefin metathesis: charge donation in phosphine and N-heterocyclic carbene ligands. J Am Chem Soc. 2007;129(51):15774-6. Abstract

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