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Upakarasamy Lourderaj

Upakarasamy Lourderaj, Reader - F
Ph.D. in 2004 from Indian Institute of Technology, Kanpur, India


Homepage
Specialisation
Theoretical Chemistry
Research Interest
Computational studies of the dynamics study of chemical reactions, Molecules under mechanical stress, Ground and excited state electronic structure properties of molecules.
Selected publications
  1. Theoretical and Computational Studies of Non-RRKM Unimolecular Dynamics U. Lourderaj and W. L. Hase, J. Phys. Chem. A 113, 2236 (2009).
  2. Potential Energy Surface and Unimolecular Dynamics of Stretched n-Butane U. Lourderaj, Jason L. McAfee, and William L. Hase, J. Chem. Phys. 129, 094701 (2008)
  3. Classical Trajectory Simulations of Post-Transition State Dynamics U. Lourderaj, K. Park, and W. L. Hase, Int. Rev. Phys. Chem. 27, 361 (2008)
  4. Imaging Nucleophilic Substitution Dynamics J. Mikosch, S. Trippel, C. Eichhorn, R. Otto, U. Lourderaj, J. X. Zhang, W. L. Hase, M. Weidemüller, and R. Wester, Science 319, 183 (2008)
  5. Direct dynamics simulations using Hessian-based predictor-corrector integration algorithms U. Lourderaj, K. Song, T. L. Windus, Y. Zhuang, and W. L. Hase, J. Chem. Phys. 126, 044105 (2007)
Contacts
Phone (O) : +91-674-2304055, (PABX) : 4055
e-mail : u.lourderaj [at] niser [dot] ac [dot] in
Office : FC203