Ph.D. Harvard University (1959)
Office: Remsen 119C
Phone: (718) 997-4193
FAX: 997-5531
E-mail: rldchem@qcvaxa.acc.qc.edu
Research Interests: Physical, Theoretical - Electric, magnetic and optical studies of molecular structure; laser polarimentry; electro- and magnetic-optical effects; ORD/CD; chemical computation; quantum theory of structure; molecular pharmacology.
Much or our research concerns the structure and energies of hydrocarbons, carbon clusters (fullerenes) and organoboron compounds. This work involves ab initio and, to a lesser extent, semiempirical and molecular mechanics calculations. For hydrocarbons we are studying strained-ring compounds, both small and large, including dodecahedrane, pagodane, prismanes, phenylenes, and many large benzenoid and non-benzenoid aromatic molecules. Recent progress has been made in obtaining accurate heats of formation and zero-point energies. In the area of organoboron compounds, we are currently studying the borepin, borabenzene, and their gallium analogs.
Our research interests also include drug design and the modeling of biological molecules. Work is continuing on modeling the binding of acetylene choline to muscarinic receptors of the central nervous system. This has application to the design of drugs to treat Alzheimer's disease. We are also studying protein kinase C and regulators of its activity such as the phorbol esters.
1. R. L. Disch and J. M. Schulman, "Heat of Formation of Dodecahedrane," J. Phys. Chem., 100, 3504 (1996).
2. J. M. Schulman and R. L. Disch, "Borazane and Borazapropellanes. The Possibility of Inverted Tetrahedral Boron and Nitrogen," J. Mol. Struct. THEOCHEM, 338, 109 (1995).
3. J. M. Schulman and R. L. Disch, "A Theoretical Study of Pagodane and Related Systems," THEOCHEM, 358, 51 (1995).
4. R. L. Disch and J. M. Schulman, "Theoretical Studies of the Inversion Barrier in Corannulenes," J. Am. Chem. Soc., 116, 1533 (1994).
5. J. M. Schulman and R. L. Disch, "Benzocyclobutene and Benzo[1,2:4,5]dicyclobutene: The Possibility of Valence Isomerism," J. Am. Chem. Soc., 115, 1153 (1993).
6. R. L. Disch, J. M. Schulman and R. C. Peck, "Ab Initio Heats of Formation of Medium-Sized Hydrocarbons. 13. Studies of Benzo[e]pyrene, Benzo[ghi]perylene, Coronene and Circumcoronene," J. Phys. Chem. 96, 3998 (1992).
7. J. M. Schulman and R. L. Disch, "Ab Initio Heats of Formation of Medium-Sized Hydrocarbons. 14. Pyracylene and Biphenylene," THEOCHEM, 259, 173 (1992).
8. J. M. Schulman, R. L. Disch, P. v. R. Schleyer, M. Buhl, M. Bremer and W. Koch, "Homoconjugation in 7-Boranorbornene and 7-Boranorbornadiene: Comparison with the Isoelectronic 7-Norbornenyl and 7-Norbornadienyl Cations," J. Am. Chem. Soc., 114, 7897 (1992).
9. J. M. Schulman and R. L. Disch, "The Heat of Formation of Buckminsterfullerene, C60," J. Chem. Soc., Chem. Commun., 411 (1991).
10. J. M. Schulman and R. L. Disch, "Theoretical Studies of the [N] Phenylenes," J. Am. Chem. Soc. 118, 8470 (1996)
Last Modified Feb. 2, 1997