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List of Publications

Shelley JC, Patey GN, Berard DR, Torrie GM. Modeling and structure of mercury-water interfaces. J Chem Phys. 1997;107:2122-41. Abstract

Berard DR, Kinoshita M, Cann NM, Patey GN. Structure of the metal aqueous electrolyte solution interface. J Chem Phys. 1997;107:4719-28. Abstract

Kinoshita M, Berard DR. Analysis of the bulk and surface-induced structure of electrolyte solutions using integral equation theories. J Comput Phys. 1996;124:230-41. Abstract

Berard DR, Kinoshita M, Ye X, Patey GN. STRUCTURE OF THE METAL-ELECTROLYTE SOLUTION INTERFACE - THEORETICAL RESULTS FOR SIMPLE-MODELS. J Chem Phys. 1995;102:1024-33.

Berard DR, Kinoshita M, Ye X, Patey GN. STRUCTURE AND PROPERTIES OF THE METAL-LIQUID INTERFACE. J Chem Phys. 1994;101:6271-80. Abstract

Berard DR, Attard P, Patey GN. CAVITATION OF A LENNARD-JONES FLUID BETWEEN HARD WALLS, AND THE POSSIBLE RELEVANCE TO THE ATTRACTION MEASURED BETWEEN HYDROPHOBIC SURFACES. J Chem Phys. 1993;98:7236-44. Abstract

Berard DR, Patey GN. A MEAN FIELD-THEORY FOR FLUIDS OF MULTIPOLAR PARTICLES IN CONTACT WITH A POLARIZABLE WALL. J Chem Phys. 1992;97:4372-9. Abstract

Berard DR, Patey GN. THE APPLICATION OF INTEGRAL-EQUATION THEORIES TO FLUIDS OF NONSPHERICAL PARTICLES NEAR A UNIFORM PLANAR WALL. J Chem Phys. 1991;95:5281-8. Abstract

Attard P, Berard DR, Ursenbach CP, Patey GN. INTERACTION FREE-ENERGY BETWEEN PLANAR WALLS IN DENSE FLUIDS - AN ORNSTEIN-ZERNIKE APPROACH WITH RESULTS FOR HARD-SPHERE, LENNARD-JONES, AND DIPOLAR SYSTEMS. Phys Rev A. 1991;44:8224-34. 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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