Rajeev R

Assistant Professor Grade-II







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Consultancy Projects


Doctoral Students


Continuing Education


PG Dissertation

 Personal Information

Dr. Rajeev R

Assistant Professor Grade-II


Joined in Jun 2020

 Room Number:

 Department of Chemistry, National Institute of Technology Rourkela, Sundargarh, Odisha, India - 769008

 Education Qualification

  1. Ph.D.
    Computational Chemistry
    IIT Bombay


Teaching Experience
  • Physical Chemistry Lab,  NITR,  15 Jul 2020 - Present
Post Doctoral Research Experience
  • Computational Chemistry,  The Michigan Technological University, USA,  02 Apr 2018 - 13 Mar 2020
  • Computational Chemistry,  The Hebrew University of Jerusalem, Israel,  01 Oct 2013 - 28 Dec 2017

 Expertise Information

Research Group
Physical Chemistry
Areas of Interest
Computational Chemistry, Density Functional Theory (DFT), Metalloenzymes, Transition metal Catalysis, Stereoselectivity of enzyme catalysis


No Projects Found....

 Continuing Education

No Continuing Educations Found....


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Total Publications: 1
K. Gopakumar, S. Shaik, and A. R, "Two-Way Catalysis in a Diels–Alder Reaction Limits Inhibition Induced by an External Electric Field", Angewandte Chemie, Wiley 2023, doi.org/10.1002/anie.202307579 Article

 Courses Taught

  • CY1101 : Chemistry {Theory}
  • CY534 : Computational Chemistry {Theory}
  • CY6303 : Computational Methods in Chemistry {Theory}
  • CY7303 : Computational Methods in Chemistry {Theory}
  • CY1170 : Chemistry Laboratory {Practical}
  • CY3702 : Natural Products Isolation Laboratory {Practical}
  • CY4703 : Physical Chemistry Laboratory {Practical}
  • CY4704 : Mathematical and Computational Methods in Chemistry {Practical}

 Research Scholars

Ph.D. Students [3]
Inorganic Chemistry

 Karthik Gopakumar

Enrolled: Sep 2020



Computational Chemistry

 Lopita Swain

Enrolled: Aug 2021




 Vivekananda Samantaray

Enrolled: Jul 2022



Executive Ph.D. Students [1]

 Pooja Kumari




PG Dissertation
  • Amardeep Jyotiranjan (420CY2033), "Computational study on CO2 reduction by homogeneous Pincer catalyst in presence of Lewis acid" - M.Sc.    Supervisor     2021-22 Spring
  • Sreerag M (420CY2103), "Quantitative analysis of electrostatic interaction in asymmetric counter-anion directed catalysis using computational methods" - M.Sc.    Supervisor     2021-22 Spring
  • Mithun Kumar Prusty (421CY2164), "Effect of Ancillary Ligands on the Oxidative Addition of C H Bond in Pt (II) and Pd (II) Complexes: A Computational Study”" - M.Sc.    Supervisor     2022-23 Spring
UG Dissertation
  • Chivukula Yagnasri (418CY5041), "The anion-pi interaction: a computational investigation of the effect of the intrinsic electric field" - Integrated M.Sc.    Supervisor     2022-23 Spring

 Awards and Honours

Awards and Honours
  • The PBC Program for Fellowships for Outstanding Postdoctoral Fellows from China and India (Planning and Budgeting Committee, Israel Science Foundation. Israel 2013),    2013
  • First prize in “2012 Eli Lilly and Company Asia Outstanding Thesis Awards”,    2012
  • CSIR-JRF – June 2005, GATE 2005,    2005
Memberships / Fellowships
  • Postdoctoral Fellow, Michigan Technological University, USA. March 2018 – March 2020,    2018
  • Postdoctoral Fellow, The Hebrew University, Jerusalem. October 2013- December 2017,    2013