Dr. T. Rajagopala Rao

Research Areas:Quantum reactive scattering of gas phase bi-molecular reactions, non-adiabatic coupling effects, geometric phase effects, nuclear spin symmetry effects, isotopic effects, spectral attributes of quasi-bound states, construction of potential energy surfaces.Professional Experience:

• Postdoctorial Research Fellow- University of Bourgogne, Dijon, France. Feb 2013-Sept 2014
• Research Associate  - University of Hyderabad, Hyderabad, India. Oct 2014-July 2015
• Assistant Professor-   National Institute of Technology (NIT) Meghalaya, Shillong, India. Aug 2015- Dec 2015

Awards & Honours:

• Gold medal  for securing first rank in M.Sc (Chemistry) at University of Hyderabad.
• DST-INSPIRE  Faculty award -2015
• CSIR JRF & SRF (2007-2012)
• GATE  (2007)

Teaching:

• CH-101: (Chemistry for 1st year B-Tech Students)
• CH-110: (Chemistry Laboratory for 1st year B-Tech Students)

      Courses taught at NIT Meghalaya

• CH-404:  Quantum Mechanics

PhD Students:

Shweta Agrawal

Abhishek Kumar

Sponsored Projects:

Publications:

• Quantum dynamics of the ¹⁸O + ³⁶O₂ collision process.  G. Guillon, T. Rajagopala Rao, S. Mahapatra,  P. Honvault. ( J. Phys. Chem. A, 2015,  119, 12512-12516 )
• Differential cross sections and product rovibrational distributions for ¹⁶O + ³²O₂ and ¹⁸O + ³²O₂ collisions.  T. Rajagopala Rao, G. Guillon, S. Mahapatra,  P. Honvault. ( J. Phys. Chem. A, 2015,  119, 11432-11439 )
• Quantum dynamics of ¹⁶O + ³²O₂ and ¹⁸O + ³²O₂ reactions. T. Rajagopala Rao, G. Guillon, S. Mahapatra,  P. Honvault. (J. Chem. Phys., 2015, 142, 174311)
• Huge quantum symmetry effect in the O + O₂ exchange reaction. T. Rajagopala Rao, G. Guillon, S. Mahapatra,  P. Honvault. (J. Phy. Chem. Lett., 2015, 6, 633-636)
• A comparative account of quantum dynamics of the H⁺ + H₂ reaction at low temperature on two different potential energy surfaces.  T. Rajagopala Rao, G. Guillon, S. Mahapatra,  P. Honvault. (J. Chem. Phys., 2014,  141, 064306)
• Time-dependent quantum wave packet dynamics of S + OH reaction on the ground electronic state. Sugata goswami, T. Rajagopala Rao, S. Mahapatra, B. Bussery-Honvault,  P. Honvault. (J. Phys. Chem. A, 2014,  118, 5915-5926)
• Theoretical study of ClH₂^- electron detachment spectroscopy revisited. T. Rajagopala Rao and S. Mahapatra. (Chem. Phys. Lett., 2013,  574, 24-31)
• Time-dependent quantum wave packet dynamics of C + OH reaction on the first excited potential energy surface. T. Rajagopala Rao, Sugata goswami, S. Mahapatra, B. Bussery-Honvault, P. Honvault. (J. Chem. Phys., 2013, 138,  094318)
• Nuclear motion on the orbitally degenerate electronic ground state of fully deuterated triatomic  hydrogen. T. Rajagopala Rao  and S. Mahapatra. (J. Chem. Phys., 2011, 134, 204307)
• Quantum dynamics of H + LiH⁺ reaction on its electronic ground state. Tanmoy Roy, T. Rajagopala Rao and S. Mahapatra. (Chem. Phys. Lett., 2011, 501, 252-256)
• Quantum nonadiabatic dynamics of hydrogen exchange reactions. T. Rajagopala Rao  B. Jayachander Rao  and S. Mahapatra. (Chem. Phys., 2009, 365, 129-137)

Presentations:

• “Accurate quantum mechanical calculations for the O + O₂ exchange reaction”- invited lecture in  4^th International conference on current developments in atomic, molecular, optical and Nano Physics (CDAMOP 2015) with applications, March 11-14, 2015, University of Delhi, Delhi, India.
• “ortho-para-H₂ conversion by proton exchange in astrophysical media” - Poster presented in “20^th European Conference on the Dynamics of Molecular Systems, MOLEC-2014”, August 24-29, 2014, University of Gothenburg, Gothenburg, Sweden.
• “Time-dependent quantum wave packet dynamics of the  S + OH reaction on the ground electronic state” - Poster presented in “12^th International workshop on quantum reactive scattering (QRS-2013)”, June 10-14, 2013, Bordeaux1 University, Talence, France.
• “On the electronic nonadiabatic effects in chemical dynamics” - Poster presented in “International Conference: Applied Theory on Molecular systems (ATOMS 2011)” November 2-5, 2011, Indian institute of Chemical Technology, Hyderabad, India.
• “Quantum dynamics in the orbitally degenerate electronic ground state of  D₃ ” - Oral presentation in “International meeting on atomic and molecular physics and chemistry (IMAMPC-2011)”,  July 5-8, 2011, Rennes, France.