.

List of Publications

Zielke P, Forysinski PW, Luckhaus D, Signorell R. Adiabatic ionization potential of acetic acid and torsional dynamics of its cation. J Chem Phys. 2009;130:3. Abstract

Suits AG, Hepburn JW. Ion pair dissociation: Spectroscopy and dynamics. Annu Rev Phys Chem. 2006;57:431-65. Abstract

Hu QJ, Hepburn JW. Energetics and dynamics of threshold photoion-pair formation in HF/DF. J Chem Phys. 2006;124:10. Abstract

Liu ZZ, Tian WQ, Feng JK, Zhang G, Li WQ. Theoretical study on structures and aromaticities of P-5(-) anion, [Ti(eta(5)-P-5)](-) and sandwich complex [Ti(eta(5)-P-5)(2)](2-). J Phys Chem A. 2005;109:5645-55. Abstract

Tian WQ, Ge MF, Sahu BR, Wang DX, Yamada T, Mashiko S. Geometrical and electronic structure of the Pt-7 cluster: A density functional study. J Phys Chem A. 2004;108:3806-12. Abstract

Takahata Y, Chong DP. DFT calculation of core-electron binding energies. J Electron Spectrosc Relat Phenom. 2003;133:69-76. Abstract

Feng RF, Cooper G, Brion CE. Dipole (e,e + ion) spectroscopic studies of benzene: absolute oscillator strengths for molecular and dissociative photoionization in the VUV and soft X-ray regions. J Electron Spectrosc Relat Phenom. 2002;123:211-23. Abstract

Feng RF, Cooper G, Sakai Y, Brion CE. Dipole (e,e plus ion) coincidence studies of the ionic photofragmentation and photoionization of carbonyl sulfide in the valence shell and S 2p, 2s and C 1s inner shell regions (10-300 eV). Chem Phys. 2000;255:353-68. 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

Chong DP, Hu CH. Accurate density functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. IV. Application to isomers of C3H6O, C3H3NO, and C6H6. J Chem Phys. 1998;108:8950-6. 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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