Richard E. Brown

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Applied quantum chemistry, Computational chemistry
Gas phase acidities of carbon acids
Structure and stability of gas phase complexes
The Transition State Structure and Stable Conformations of the Myo-Inositol Phosphates
The mechanisms for biological activity of Old Yellow Enzyme (OYE) and D-Amino Acid Oxidase (DAAO)
Mechanisms of organic reactions

Recent Publications

Lin Chen, B. T. Burcar, and R.E. Brown, "MO Studies on the Gas Phase Acidities of the Cyano Substituted Cyclopentadienes," in preparation and presented at ACS meetings.
P. V. Jog, R. E. Brown and D. K. Bates, "A Redox Mediated Molecular Brake: Dynamic NMR Study of 2-[2-(Methylthio)phenyl]isoindolin-1-one and S-Oxidized Counterpart", submitted and presented at ACS meetings.
C. J. Volkmann, G. M. Chateauneuf, J. Pradhan, A. T. Bauman, R. E. Brown, P. N. Murthy, "Conformational Flexibility of Inositol Phosphates: Influence of Structural Characteristics", Tetrahedron Letters, 2002, Volume 43, pg 4853-4856.
G. M. Chateauneuf, R. E. Brown and B. J. Brown, "Computational Studies of Electron Transfer Processes in Old Yellow Enzyme", Int. J. Quant. Chem., 2001,Vol. 85, pg 685-692.
R. E. Brown, G. M. Chateanuef, P.R. Klassen, R. L. Luck, and G. D. Mendenhall, "Synthesis, Variable Temperature 1H NMR, Single Crytstal X-ray Determined and Ab-Initio Molecular Structural Analyses on 1-Isopropylidene Aminomethyl Pyrene", J. Molec. Struct., 2001, 561/1-3, 331.
Q. Zhang and R.E. Brown, "The Structure and Thermodynamic Stabilities of the Anionic Clusters of Hydrogen Fluoride," J. of Molecular Structure (Theochem), 527, 81 (2000).
A. T. Bauman, G. M. Chateauneuf, B. R. Boyd, R. E. Brown and P. P. Murthy, "Conformational Inversion Processes in Phytic Acid: NMR Spectroscopic and Molecular Modeling Studies", Tetrahedron Letters, 40, 4489 (1999).

Presentations

"Ab Initio MP2 and DFT Studies on the HF, H2O and NH3 Anion Clusters", with X. Bai and P. Yang, The 35th Great Lakes Regional Meeting of the American Chemical Society, Loyola University, Chicago, IL, May 31- June 2, 2003.
"The Transition State Structure and Conformations of Myo-Inositol Mono-Phosphate" with P. Yang and X. Bai, The 35th Great Lakes Regional Meeting of the American Chemical Society, Loyola University, Chicago, IL, May 31- June 2, 2003.
"Computational Studies of Electron Transfer Processes in Old Yellow Enzyme" with G. Chateauneuf and B. J. Brown; The 41st Sanibel Symposium on Atomic, Molecular, Biophysical, and Condensed Matter Theory; St. Augustine, Fl; February 24-March 2, 2001.
"Ab Initio Studies on the Structure and Stability of the Symmetric Anion Complexes of Hydrogen Fluoride", Department of Chemistry, Wright State University, April 27, 2001.
"Ab Initio Studies on the Structure and Stability of the Symmetric Anion Complexes of Hydrogen Fluoride", Z-Fest Symposium in Honor of Michael Zerner, University of Florida, Gainesville, FL, November 18, 2000.
"Ab Initio Studies on the Structure and Stability of the Symmetric Anion Complexes of Hydrogen Fluoride", Department of Physics, Michigan Technological University, March 9, 2000.
"How We Use Molecular Orbital Methods to Determine Molecular Properties, With Examples", University of Wisconsin-Oshkosh, Oshkosh, WI, Oct 22, 1999.