EXPERTISE INFORMATION
Research Group
- Physical Chemistry
Areas of Interest
- Computational Chemistry, Density Functional Theory (DFT), Metalloenzymes, Transition metal Catalysis, Stereoselectivity of enzyme catalysis
9
PUBLICATIONS1
SPONSORED PROJECTS3
DOCTORAL STUDENTSPERSONAL INFORMATION
Rajeev R
Assistant Professor Grade-I
Chemistry
Room Number:
Department of Chemistry, National Institute of Technology Rourkela, Sundargarh, Odisha, India - 769008
2012
Ph.D.
Computational ChemistryIIT Bombay
Teaching Experience
- Chemistry, NIT Rourkela, 01 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
Synergizing short-range and long-range interactions to upregulate catalysis in Biotin-Streptavidin (Bio0Sav) enzyme complexes. A computational Study. Science & Engineering Research Board(SERB)
- Principal Investigator
- 24
- Completed Sponsored
Total Publications: 9
L. Swain, C. Dihiria, and A. R,"How to enhance strain-release catalysis in a reaction through orbital alignment from metal catalysts?", Dalton Transactions, Royal Society of Chemistry 2026, View Details Article
A. K. Mahto, J. Ghosh, P. Pradhan, M. Sarkar, S. Vaidyanathan, A. R, and J. P. Madda,"Fluorescence enhancement in a Tri(biphenyl-4-yl)amine derivative via solid-state grinding with metal salts: chemosensing and white light-emitting diode applications", ChemPhotoChem, vol.9, pp.e202500021, Wiley 2025, 10.1002/cptc.202500021 Article
L. Swain, K. Gopakumar, and A. R,"Unique catalytic role of intermolecular electric fields that emanate from Lewis acids in a ring closing carbonyl olefin metathesis reaction", Physical Chemistry Chemical Physics, vol.27, no.11, pp.5821-5831, Royal Society of Chemistry 2025, 10.1039/D4CP04879B Article
S. Melayikandy, A. Krishnan, Ann. Varghese, S., S. O. Waheed, A. R, D. Li, C. Christov, and T. G. Karabencheva-Christova,"Catalytic mechanism of the bacterial non-heme Fe(II) and 2-oxoglutarate dependent enzyme AlkB with single-stranded DNA containing complex guanine adducts", Inorganic Chemistry, vol.64, no.30, pp.15650–15666, American Chemical Society 2025, 10.1021/acs.inorgchem.5c02176 Article
A. R and V. Samantaray,"Unifying Electric Field Catalysis with the Inductive Effect, Electro-Inductive Effect, and Differential Solvation-Induced Catalysis.", The Journal of Organic Chemistry, American Chemical Society 2025, View Details Article
- Applied Chemistry {Theory}
- Chemistry {Theory}
- Chemistry of Materials for Energy Applications {Theory}
- Computational Chemistry {Theory}
- Computational Methods in Chemistry {Theory}
- Principles of Molecular Modeling and Applications {Theory}
- Quantum Chemistry {Theory}
- Basic Physical Chemistry Laboratory - I {Practical}
- Chemistry Laboratory {Practical}
- Mathematical and Computational Methods in Chemistry {Practical}
- Natural Products Isolation Laboratory {Practical}
- Physical Chemistry Laboratory {Practical}
Ph.D. Students [3]
Mechanistic Changes in Chemical Bond Formation as a Function of External Stimuli: A Computational Study
Karthik GopakumarEnrolled: Sep 2020Graduated : May 2026Supervisor
Computational Chemistry
Lopita SwainEnrolled: Aug 2021ContinuingSupervisor
COMPUTATIONAL CHEMISTRY
Vivekananda SamantarayEnrolled: Jul 2022ContinuingSupervisor
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