biblio

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Filters: First Letter Of Title is D and Author is Pal, Sourav  [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.
2007
K. B. Sophy, Calaminici, P., and Pal, S., “Density functional static dipole polarizability and first-hyperpolarizability calculations of Na-n (n=2, 4, 6, 8) clusters using an approximate CPKS method and its comparison with MP2 calculations”, Journal of Chemical Theory and Computation, vol. 3, no. 3, pp. 716-727, 2007.
N. Gupta, Garg, R., Shah, K. Kr., Tanwar, A., and Pal, S., “Deprotonation of 1,2-dialkylpyridinium ions: a DFT study of reactivity and site selectivity”, Journal of Physical Chemistry A, vol. 111, no. 36, pp. 8823-8828, 2007.
P. Uday Manohar and Pal, S., “Dipole moments and polarizabilities of some small radicals using constrained variational response to fock-space multi-reference coupled-cluster theory”, Chemical Physics Letters, vol. 438, no. 4-6, pp. 321-325, 2007.
2008
T. Kelkar, Pal, S., and Kanhere, D. G., “Density functional investigations of electronics structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride”, ChemPhysChem , vol. 9, no. 6, pp. 928-934, 2008.
2009
H. Sekhar De, Krishnamurty, S., and Pal, S., “Density functional investigation of relativistic effects on the structure and reactivity of tetrahedral gold clusters”, Journal of Physical Chemistry C, vol. 113, no. 17, pp. 7101-7106, 2009.
2012
S. Pal, “Descriptors as probes for inter-molecular interactions and external perturbation”, in Applications of Density Functional Theory to Chemical Reactivity, vol. 149, M. V. Putz and Mingos, D. M. P., Eds. 233 Spring Street, New York, NY 10013, United States: Springer, 2012, pp. 131-158.
2014
S. Das, Pal, S., and Krishnamurty, S., “Dinitrogen activation by silicon and phosphorus doped aluminum clusters”, Journal of Physical Chemistry C, vol. 118, no. 34, pp. 19869-19878, 2014.
2017
D. Kumar, Krishnamurty, S., and Pal, S., “Dissociative adsorption of molecular hydrogen on BN-doped graphene-supported aluminum clusters”, Journal of Physical Chemistry C, vol. 121, no. 47, pp. 26493-26498, 2017.
2018
D. Kumar, Govindaraja, T., Krishnamurty, S., Kaliaperumal, S., and Pal, S., “Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study”, Physical Chemistry Chemical Physics , vol. 20, no. 41, pp. 26506-26512, 2018.