N.  Kumari, Prajapati, R., Dixit, M., and Mishra, L., ?Selective binding of benzoquinone with a Pt-II-cyclophane constructed on the skeleton of N,N `-bis(salicylidene)-p-phenylenediamine: synthesis and spectroscopic studies?, Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry, vol. 48, no. 12, pp. 1644-1651, 2009.

M.  Dixit, Maark, T. Adit, and Pal, S., ?Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5?, International Journal of Hydrogen Energy, vol. 36, no. 17, pp. 10816-10827, 2011.

M.  Dixit, Maark, T. Adit, Ghatak, K., Ahuja, R., and Pal, S., ?Scandium-decorated MOF-5 as potential candidates for room-temperature hydrogen storage: a solution for the clustering problem in MOFs?, Journal of Physical Chemistry C, vol. 116, no. 33, pp. 17336-17342, 2012.

V.  Sharma, Dixit, M., Satsangi, V. R., Dass, S., Pal, S., and Shrivastav, R., ?Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films: first-principle DFT computations supporting the systematic experimental endeavor?, International Journal of Hydrogen Energy, vol. 39, no. 8, pp. 3637-3648, 2014.

M.  Dixit, Major, D. Thomas, and Pal, S., ?Hydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study?, Chemical Physics Letters, vol. 651, pp. 178-182, 2016.

A.  Rasool, Anis, I., Dixit, M., Maibam, A., Hassan, A., Krishnamurty, S., and Dar, M. Ahmad, ?Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation?, Catalysis Science & Technology, vol. 12, no. 1, pp. 310-319, 2022.