K.  Ghatak and Vanka, K., ?Computational investigation of the role of the iridium dihydrogen pincer complex in the formation of the cyclic pentamer (NH2BH2)(5)?, Computational and Theoretical Chemistry, vol. 992, pp. 18-29, 2012.

M. V.  Mane, Venkatnathan, A., Ghatak, K., and Vanka, K., ?Exploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational study?, Journal of Physical Chemistry B, vol. 116, no. 32, pp. 9803-9811, 2012.

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.

K.  Ghatak, Mane, M., and Vanka, K., ?Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation?, ACS Catalysis, vol. 3, no. 5, pp. 920-927, 2013.

K.  Ghatak, Sengupta, T., Krishnamurty, S., and Pal, S., ?Computational investigation on the catalytic activity of Rh-6 and Rh4Ru2 clusters towards methanol activation?, Theoretical Chemistry Accounts , vol. 134, no. 1, p. 1597, 2014.