biblio

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Filters: Author is Singh, Chandrodai Pratap and Keyword is Density functional theory  [Clear All Filters]
2022
M. Sahoo, Babu, P., Singh, C. Pratap, Krishnamurty, S., and Parida, K., “Facile fabrication of nano silver phosphate on B-doped g-C3N4: an excellent p-n heterojunction photocatalyst towards water oxidation and Cr (VI) reduction”, Journal of Alloys and Compounds, vol. 898, p. 162853, 2022.
2023
B. R. Shivankar, Singh, C. Pratap, and Krishnamurty, S., “Chemically modified graphene sheets as potential sensors for organophosphate compounds(pesticide): A DFT study”, Applied Surface Science, vol. 619, p. 156745, 2023.
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.