P. Paramita Samal, Joshi, K., Kaliaperumal, S., and Krishnamurty, S., ?Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule?, Computational and Theoretical Chemistry, vol. 1170, p. 112624, 2019.

R. A.  Jagtap, Samal, P. Paramita, Vinod, C. P., Krishnamurty, S., and Punji, B., ?Iron-catalyzed C(sp(2))-H alkylation of indolines and benzo[h]quinoline with unactivated alkyl chlorides through chelation assistance?, ACS Catalysis, vol. 10, no. 13, pp. 7312-7321, 2020.

A.  Maibam, Das, S. Kumar, Samal, P. Paramita, and Krishnamurty, S., ?Enhanced photocatalytic properties of a chemically modified blue phosphorene?, RSC Advances , vol. 11, no. 22, pp. 13348-13358, 2021.

S.  Saini, Samal, P. Paramita, Krishnamurty, S., Ray, A., and Jain, S. L., ?An innovative light assisted production of acetic acid from CO2 and methanol: a first photocatalytic approach using a reusable cobalt(ii) molecular hybrid at atmospheric pressure?, Green Chemistry, vol. 23, no. 22, pp. 9048-9060, 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.

S. B.  Ankade, Samal, P. Paramita, Soni, V., Gonnade, R. G., Krishnamurty, S., and Punji, B., ?Ni(II)-catalyzed intramolecular C-H/C-H oxidative coupling: an efficient route to functionalized cycloindolones and indenoindolones?, ACS Catalysis, vol. 11, no. 19, pp. 12384-12393, 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.

C. Pratap Singh, Samal, P. Paramita, and Krishnamurty, S., ?Thermal stability of an endohedrally doped aluminum nanoclusters: a BOMD study?, Theoretical Chemistry Accounts, vol. 140, no. 9, p. 132, 2021.

P. Paramita Samal, Dekshinamoorthy, A., Arunachalam, S., Vijayaraghavan, S., and Krishnamurty, S., ?Free base phthalocyanine coating as a superior corrosion inhibitor for copper surfaces: a combined experimental and theoretical study?, Colloids and Surfaces A-Physicochemical and Engineering Aspects, vol. 648, p. 129138, 2022.

M. A.  Shaikh, Samal, P. Paramita, Ubale, A. S., Krishnamurty, S., and Gnanaprakasam, B., ?Lewis acid-catalyzed chemodivergent and regiospecific reaction of phenols with quaternary peroxyoxindoles?, Journal of Organic Chemistry, vol. 87, no. 21, pp. 14155-14167, 2022.

T. Singh Verma, Samal, P. Paramita, Selvaraj, K., and Krishnamurty, S., ?Can Li atoms anchored on boron- and nitrogen-doped graphene catalyze dinitrogen molecules to ammonia? a DFT study?, ChemPhysChem, vol. 24, no. 12, 2023.

N.  Mohanta, Samal, P. Paramita, Pandey, A. M., Mondal, S., Krishnamurty, S., and Gnanaprakasam, B., ?Catalyst-assisted selective vinylation and methylallylation of a quaternary carbon center using tert-butyl acetate?, Journal of Organic Chemistry, vol. 88, no. 14, pp. 9686-9703, 2023.

P. Paramita Samal, Singh, C. Pratap, and Krishnamurty, S., ?Expounding lemonal terpenoids as corrosion inhibitors for copper using DFT based calculations?, Applied Surface Science, vol. 614, p. 156066, 2023.

C.  Pradhan, Jagtap, R. A., Samal, P. Paramita, Krishnamurty, S., and Punji, B., ?Iron-catalyzed regioselective C-H alkylation of indoles: an additive-free approach in renewable solvent?, Green Chemistry , vol. 25, no. 23, pp. 9733-9743, 2023.

M.  Prabu, Manikandan, M., Samal, P. Paramita, Gurrala, L. Prasad, Mekala, S. Prasad, Archana, R., Nayak, C., Bhattacharyya, D., Jha, S. N., Krishnamurty, S., and Raja, T., ?MnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates?, ACS Applied Nano Materials, vol. 6, no. 9, pp. 7245-7258, 2023.

A.  Dekshinamoorthy, Samal, P. Paramita, Krishnamurty, S., Khatri, P. K., Jain, S. Lata, Ray, A., and Vijayaraghavan, S., ?Sulfonated zinc phthalocyanine coating as an efficient and ecofriendly corrosion inhibitor for copper surfaces: an in silico led design and its experimental validation?, Langmuir, vol. 39, no. 48, pp. 17295-17307, 2023.

S.  Barik, Kharabe, G. Pandurang, Samal, P. Paramita, Urkude, R. R., Kumar, S., Yoyakki, A., Vinod, C. P., Krishnamurty, S., and Kurungot, S., ?Breaking the Pt electron symmetry and OH spillover towards ptir active center for performance modulation in direct ammonia fuel cell?, Small, vol. 20, no. 49, 2024.

P. Paramita Samal and Krishnamurty, S., ?First-principles simulation of active site selectivity for CO2 and H2 adsorption on Mg(OH)+/Mg2+ and Ca(OH)+/Ca2+ zeolites?, Journal of Physical Chemistry C, vol. 128, no. 51, pp. 21659-21671, 2024.

P. Paramita Samal, Singh, C. Pratap, Tiwari, S., Shah, V., and Krishnamurty, S., ?Indazole-5-amine (AIA) as competing corrosion coating to Benzotriazole (BTAH) at the interface of Cu: A DFT and BOMD case study?, Computational and Theoretical Chemistry, vol. 1239, p. 114762, 2024.

S. B.  Ankade, Pradhan, C., Samal, P. Paramita, Gonnade, R. G., Krishnamurty, S., and Punji, B., ?Iron-catalyzed C-C and C-N bond-forming tandem amidation offering access to 3-amino-3-aminomethyl-2-oxindole frameworks?, Advanced Synthesis & Catalysis, vol. 366, no. 12, pp. 2801-2810, 2024.

A.  Kumar, Bhatt, S., Samal, P. Paramita, Krishnamurty, S., and Jain, S. L., ?Synergistic combination of ZnCl2/Cu-BTC MOF for the photocatalytic oxidative deamination of benzylamines using CO2 under visible-light irradiation?, ACS Applied Engineering Materials, vol. 2, no. 8, pp. 2095?2101, 2024.

S. K.  Verma, Samal, P. Paramita, Pradhan, C., Pandey, D. K., Krishnamurty, S., and Punji, B., ?Hybrid pincer (PNN)Ni(II) complex catalyzed selective C-H alkylation of pyridones using unactivated alkyl chlorides?, ACS Catalysis, vol. 15, no. 4, pp. 2987-2999, 2025.