Bala "Ramu" Ramachandran Hazel Stewart Garner Professor of Chemistry Associate Dean for Research, College of Engineering & Science Post-doctoral Fellow, Institute for Theoretical Chemistry, University of Texas, Austin, 1987-89 Ph. D., Kansas State University, 1987 M.Sc., Indian Institute of Technology, India, 1982 B. Sc., University of Calicut, India, 1980 Complete CV (updated May 12, 2010)

Research Interests

My research interests are in the general area of computational chemistry.  In the past decade, my work has dealt with structure, energetics, and reactivity of organolithium compounds.  Recent work includes the development of high-accuracy potential energy surfaces for studying the reaction dynamics of small molecules, followed by detailed dynamical studies using quasiclassical trajectory and time-independent quantum mechanical scattering methods. Most of this work tends to be intensely computational in nature, and requires the use of high-performance computing platforms such as those provided by the Louisiana Optical Network Initiative (LONI).   Projects currently in progress in include the study of the reaction mechanisms of organolithium and organomercury compounds in gas phase as well as condensed phases, reactions of organic molecules in aqueous media under supercritical conditions, and the calculation of electrostatic surface potentials of aromatic thiols adsorbed on gold surfaces.

PUBLICATIONS:  Peer-reviewed Papers    Books/Book Chapters

Atomic Orbital Pictures Using Mathematica

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