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List of Publications

Motozaki W, Otsuka T, Endo K, Chong DP. Electron binding energies of Si 2p and S 2p for Si- and S-containing substances by DFT calculations using the model molecules. Polym J. 2004;36:600-6. Abstract

Endo K, Koizumi S, Otsuka T, Ida T, Morohashi T, Onoe J, et al. Analysis of electron spectra of carbon allotropes (diamond, graphite, fullerene) by density functional theory calculations using the model molecules. J Phys Chem A. 2003;107:9403-8. Abstract

Otsuka T, Koizumi S, Endo K, Kawabe H, Chong DP. Theoretical Auger electron spectra of polymers by density functional theory calculations using model dimers. J Comput Chem. 2002;23:394-401. Abstract

Otsuka T, Koizumi S, Endo K, Chong DP. Theoretical X-ray photoelectron and Auger electron spectra of polymers by density functional theory calculations using model dimers. Theochem-J Mol Struct. 2002;619:241-7. Abstract

Otsuka T, Chong DP, Maki J, Kawabe H, Endo K. Theoretical Auger electron and X-ray emission spectra of CO and H2O by density functional theory calculations. Chem Phys Lett. 2002;352:511-20. Abstract

Takaoka K, Otsuka T, Naka K, Niwa A, Suzuki T, Bureau C, et al. Analysis of X-ray photoelectron spectra of electrochemically prepared polyaniline by DFT calculations using model molecules. J Mol Struct. 2002;608:175-82. Abstract

Endo K, Shimada S, Ida T, Suhara M, Kurmaev EZ, Moewes A, et al. Theoretical X-ray photoelectron and emission spectra of Si- and S-containing polymers by density-functional theory calculations using model molecules. J Mol Struct. 2001;561:17-28. Abstract

Endo K, Koizumi S, Otsuka T, Suhara M, Morohasi T, Kurmaev EZ, et al. Analysis of XPS and XES of diamond and graphite by DFT calculations using model molecules. J Comput Chem. 2001;22:102-8. Abstract

Takaoka K, Maeda S, Miura H, Otsuka T, Endo K, Chong DP. Theoretical valence photoelectron and UV-visible absorption spectra of four stable conductive molecules obtained by MO calculations. Bull Chem Soc Jpn. 2000;73:43-51. Abstract

Shimada S, Ida T, Endo K, Suhara M, Kurmaev EZ, Chong DP. Theoretical X-ray photoelectron and emission spectra of C-, N-, and O-containing polymers by density-functional theory calculations using model molecules. Polym J. 2000;32:1030-7. 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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