biblio

Found 4 results
Filters: Author is Pal, Sourav and Keyword is Density functional theory  [Clear All Filters]
2005
S. Pal and Sophy, K. B., “Density functional response approach for electric properties of molecules”, in International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, Greece, 2005, vol. 3, pp. 142-151.
2011
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.
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.
2014
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.