H. Sekhar De, Krishnamurty, S., Mishra, D., and Pal, S., ?Finite temperature behavior of gas phase neutral Au-n (3 <= n <= 10) clusters: a first principles investigation?, Journal of Physical Chemistry C, vol. 115, no. 35, pp. 17278-17285, 2011.

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.

K.  Joshi, Maibam, A., and Krishnamurty, S., ?Finite temperature behavior of carbon atom-doped silicon clusters: depressed thermal stabilities, coexisting isomers, reversible dynamical pathways and fragmentation channels?, New Journal of Chemistry, vol. 45, no. 18, pp. 8217-8227, 2021.

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.

A.  Hassan, Anis, I., Shafi, S., Assad, A., Rasool, A., Khanam, R., Bhat, G. Ahmad, Krishnamurty, S., and Dar, M. Ahmad, ?First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer?, ACS Applied Nano Materials, vol. 5, no. 10, pp. 15409-15417, 2022.

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.

S.  Roy, Krishnamurty, S., and Schoefberger, W., ?From ``Cosmic Cooking'' to chemistry of the future: a collective dialogue on chemistry as a tribute to Prof. Sourav Pal.?, Frontiers in Chemistry, vol. 10, p. 908165, 2022.

N.  Mohanta, Samal, P. P., Krishnamurty, S., and Gnanaprakasam, B., ?FeCl2-catalyzed rearrangement of aryl peroxyoxindole into 1,3-benzooxazin-4-One?, Advanced Synthesis & Catalysis, vol. 365, pp. 515-521, 2023.

A.  Shukla, Sharma, G., and Krishnamurty, S., ?Functionalized Mo2BX2 (X = H, OH, O) MBenes as a promising sensor, capturer and storage material for environmentally toxic gases: A case study of 1T and 2H phase?, Applied Surface Science, vol. 615, p. 156299, 2023.

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.

I. S.  Nawghare, Deshmukh, S. Suresh, Joshi, K., Krishnamurty, S., Krishnamoorthy, K., and Nithyanandhan, J., ?Far-red active squaraine dye-sensitized photoanode for dye-sensitized solar cells with a copper (II/I) electrolyte?, Journal of Photochemistry and Photobiology A-Chemistry, vol. 459, p. 116086, 2025.