biblio

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Filters: Author is Krishnamurty, Sailaja and Keyword is Born-Oppenheimer molecular dynamics  [Clear All Filters]
2012
H. Sekhar De, Krishnamurty, S., and Pal, S., “First principle investigation on the thermal stability of a golden fullerene: a case study of Au-32”, Catalysis Today, vol. 198, no. 1, pp. 106-109, 2012.
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.