Chemistry

Dr. T. Rajagopala Rao
 
Dr. T. Rajagopala Rao
Asst. Professor
Ph.D, University of Hyderabad
Ph: +91-612-302 8238, +91-8500602606
rajgopal[AT]iitp.ac.in, rajgopal.uoh[AT]gmail.com
Google Scholar: https://scholar.google.co.in/citations?user=KqmNODEAAAAJ&hl=en
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
Ph.D Students :
Abhishek
Abhishek Kumar		 preeti
Preeti Karmakar		 sri
Korutla Srikanth		 rishabh
Rishabh Kumar Pandey		 Anuj Tak
Anuj Tak		 Shyam
Shyam Sharan Tripathi
Sponsored Projects :
TitlePrincipal InvestigatorSponsored byStatus
Quantum dynamical studies on bimolecular reactions of practical and fundamental interest.

Dr. T. Rajagopala Rao

 DST-INSPIRE Just approved.
Publications :
  1. “Differential cross sections and product ro-vibrational distributions for 16O + 36O2 and 18O + 32O2 exchange reactions” S. Korutla, G. Guillon, P. Honvault, T. Rajagopala Rao, Chem. Phys. Lett., 2021, 776, 138648.
  2. “Quantum and classical dynamics of the N(2D)+N2 Reaction on its ground doublet state N3(12A’’) potential energy surface” S. Korutla, D. Koner, A. J. C. Varandas, T. Rajagopala Rao, J. Chem. Phys. A, 2021,125, 25, 5650.
  3. “An unbiased confirmation of the participating isomers of C2B5 in the formation of its photo-detachment spectra: a theoretical study” A. Kumar, T. Rajagopala Rao and R. Sarkar, Phys. Chem. Chem. Phys., 2021, 23, 3160.
  4. Inducing Dye-selectivity in Graphene oxide for cationic Dye Separation Applications, Pranay Ranjan, Priyanshu Verma, Shweta Agarwal, T. Rajagopala Rao, Sujoy K. Samanta, Ajay D. Thakur, Materials Chemistry and Physics 226, 350 (2019).
  5. A Low-Cost Non-explosive Synthesis of Graphene Oxide for Scalable Applications, Pranay Ranjan, Shweta Agarwal, Apurva Sinha, T. Rajagopala Rao, Jayakumar Balakrishnan, Ajay D. Thakur, Scientific Reports 8, 12007 (2018); DOI: 10.1038/s41598-018-30613-4.
  6. A theoretical investigation of elastic scattering of H Atom by C60 and Kr@C60 , Km Akanksha Dubey, Shweta Agrawal, T. Rajagopala Rao,and Jobin Jose, J. Phys. B: At. Mol. Opt. Phys, 52 035203 (2019)
  7. Rationalization of photo-detachment spectra of indenyl anion (C9H7−) from the perception of vibronic coupling theory, Abhishek Kumar, Shweta Agrawal, Tammineni Rajagopala Rao and Rudraditya Sarkar ,Phys. Chem. Chem. Phys., 2019, 21, 22359--22376,DOI: 10.1039/C9CP04594E
  8. A theoretical study on the C + OH reaction dynamics and product energy disposal with vibrationally excited reagent"Sugata Goswami, Jayakrushna Sahoo, T. Rajagopala Rao, B. Bussery-Honvault, Pascal Honvault and S. Mahapatra. Eur. Phys. J. D, 72, 225(1-19),(2018)
  9. 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 )
  10. 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 )
  11. Quantum dynamics of 16O + 32O2 and 18O + 32O2 reactions. T. Rajagopala Rao, G. Guillon, S. Mahapatra,  P. Honvault. (J. Chem. Phys., 2015, 142, 174311)
  12. 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)
  13. 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)
  14. 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)
  15. Theoretical study of ClH2- electron detachment spectroscopy revisited. T. Rajagopala Rao and S. Mahapatra. (Chem. Phys. Lett., 2013,  574, 24-31)
  16. 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)
  17. 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)
  18. 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)
  19. 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  4th 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 “20th 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 “12th 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.
Conference & Seminars
 :
  • Visiting research portugal
  • Conference in IIT Tirupati
  • Presentation in Spain

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