biblio

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Filters: Author is Pal, Sourav and Keyword is DFT  [Clear All Filters]
2019
B. Samanta, Sengupta, T., and Pal, S., “Aluminum cluster for CO and O-2 adsorption”, Journal of Molecular Modeling, vol. 25, no. 1, p. 2, 2019.
2013
B. S. Kulkarni, Mishra, D., and Pal, S., “Role of substituents on the reactivity and electron density profile of diimine ligands: a density functional theory based study”, Journal of Chemical Sciences, vol. 125, no. 5, pp. 1247-1258, 2013.
2012
S. V. Shedge, Joshi, S. P., and Pal, S., “Behaviour of density functional theory for electric response properties at distorted geometries of molecules”, Theoretical Chemistry Accounts, vol. 131, no. 2, p. 1094, 2012.
2011
D. Mishra, Pal, S., and Krishnamurty, S., “Understanding the molecular conformations of Na-dimyristoylphosphatidylglycerol (DMPG) using DFT-based method”, Molecular Simulation, vol. 37, no. 11, pp. 953-963, 2011.
2010
R. Kar and Pal, S., “Effect of solvents having different dielectric constants on reactivity: a conceptual DFT approach”, International Journal of Quantum Chemistry, vol. 110, no. 9, pp. 1642-1647, 2010.
2009
P. Ganguly, Kulkarni, B. S., and Pal, S., “Bond length variations: electron number profiles and transferable atomic sizes”, Journal of Molecular Structure, vol. 936, no. 1-3, pp. 1-8, 2009.