Education:

Post-doctoral Research, Johns Hopkins University, 1975
Ph.D. Johns Hopkins University, 1975
M.A. Johns Hopkins University, 1973
M.S. Morgan State College, 1969
B.S. Morgan State College, 1966

Research Interests:

My research employs the use of computational chemistry to study organic and biochemical systems. The aim of my research is to develop effective computational procedures to predict, confirm and interpret more clearly on a molecular level the kinetics, energetics and biological activity of a host of organic and biochemical transformations. Current computational studies involve using ab initio and density functional theory (DFT) calculations to determine the structure-activity relationship (SAR) between the 3D structure of known cytotoxic drugs, including rhenium-containing compounds and also third-generation cisplatin analogs, such as oxaliplatin (Eloxatine). Current research also centers on using DFT calculations of dimerization energies of constitutional and diastereomeric isomers belonging to the same symmetry point group to predict their relative melting points.

Selected Publications (Total: 13, citations: 34):

• J. Medley, G. Payne, H. N. Banerjee, D. Giri, A. Winstead, J.M. Wachira, J. A Krause, R. Shaw, Saroj K. Pramanik, Santosh K. Mandal, "DNA- Binding and Cytotoxic Efficacy Studies of Organorhenium Pentylcarbonate Compounds," Mol Cell Biochem., 2015, Jan 28; 398 (1-2); 21-30. 
• R. Shaw, A. Severin, M. Balfour, and C. Nettles " Diels- Alder Cycloaddition: A More Experiment in the Organic Chemistry Laboratory Including A Diene Identification Exercise Puzzle Involving NMR Spectroscopy and Molecular Modeling," Journal of Chemical Education, 2005, 82, 625. 
• R. Shaw, Sean Nedd, and David Roane, "Effect of Anisotropy on the Chemical Shift of Vinyl Protons in trans- and cis- 1,4-Dibenzoylethylenes: A Small Group or Recitation Activity," Journal of Chemical Education, 2002, 79, 67.
• R. Shaw, "Summer Research Experience with MUCH Success," Journal of College Science Teaching, September/ October 1996, 13.
• M. Hokmabadi, R. Shaw "Raman Spectroscopic Determination of Heats of Vaporization of Pure Liquids," Journal of Chemical Education, 1996, 73, 474. 
• R. Shaw, "Beginning Freshman Chemistry On A Historical Note," Journal of College Science Teaching, November 1995, 88.
• • R. Shaw, Fund Raising: "An Essential Activity for Undergraduate Department Chairs," Jr. of College Science Teaching, March/April 1995, 308. 
• D. A. Johnson, R. Shaw, and E. F. Silversmith, "Visual Demonstration of Solvent Polarities," Journal of Chemical Education, 1994, 71, 517. 
• R. Shaw, M. Waweru, and A. Stevenson, "Successful Mentoring of Elementary School Students by College Undergraduates: MUCH," Journal of Chemical Education, 1993, 70, 770.
• R. Shaw - contributing author, "Unsung Heroes and Heroines," Journal of The National Technical Association, Winter 1991, 39.

Books:

• Shaw, R. "Beckoning the Past to the Future," 1998, BCP Printing. 
• Shaw, R. "Introduction to Molecular Modeling for the Organic Chemistry Student Vol. I," 2015, Miller's Minuteman Press.