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Filters: Keyword is DFT and Author is Samal, Pragnya Paramita  [Clear All Filters]
2021
T. Sartaj Khan, Singh, D., Samal, P. Paramita, Krishnamurty, S., and Dhepe, P. Laxmikant, “Mechanistic investigations on the catalytic transfer hydrogenation of lignin-derived monomers over Ru catalysts: theoretical and kinetic studies”, ACS Sustainable Chemistry & Engineering, vol. 9, no. 42, pp. 14040-14050, 2021.
P. Paramita Samal, Poonam,, and Krishnamurty, S., “Substrate augmented catalytic activity towards NRR: a case study of Li doped Al clusters on defective graphene”, vol. 566, p. 150586, 2021.