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N.  Kuriakose, Kadam, S., and Vanka, K., ?Theoretical study of metal-metal cooperativity in the homogeneous water gas shift reaction?, Inorganic Chemistry, vol. 51, no. 1, pp. 377-385, 2012.\par \par N.  Kuriakose and Vanka, K., ?Can molecular cages be effective at small molecule activation? a computational investigation?, Inorganic Chemistry, vol. 52, no. 8, pp. 4238-4243, 2013.\par \par V. S.  Shende, Shingote, S. K., Deshpande, S. H., Kuriakose, N., Vanka, K., and Kelkar, A. A., ?Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study?, RSC Advances, vol. 4, no. 86, pp. 46351-46356, 2014.\par \par N.  Kuriakose and Vanka, K., ?New insights into small molecule activation by acyclic silylenes: a computational investigation?, Dalton Transactions, vol. 43, no. 5, pp. 2194-2201, 2014.\par \par N.  Kuriakose and Vanka, K., ?Can substituted allenes be highly efficient leaving groups in catalytic processes? a computational investigation?, Journal of Computational Chemistry, vol. 36, no. 11, pp. 795-804, 2015.\par \par N.  Kuriakose and Vanka, K., ?Can main group systems act as superior catalysts for dihydrogen generation reactions? A computational investigation?, Dalton Transactions, vol. 45, no. 14, pp. 5968-5977, 2016.\par \par }