biblio

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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.
S. Pal, Reactivity descriptors: conceptual and computational developments, in International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, Greece, 2005, vol. 4A-4B, pp. 1172-1174.
2007
P. Uday Manohar and Pal, S., Constrained variational response to fock-space multi-reference coupled-cluster theory: formulation for excited-state electronic structure calculations and some pilot applications, in Computational Methods in Science and Engineering Vol 1: Theory and Computation: Old Problems and New Challenges, 2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA, 2007, vol. 963, pp. 337-344.
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.
I. Heidari, Pal, S., Pujari, B. S., and Kanhere, D. G., Electronic structure of spherical quantum dots using coupled cluster method, Journal of Chemical Physics, vol. 127, no. 11, p. 114708, 2007.
R. Kar, Chandrakumar, K. R. S., and Pal, S., Influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes, Journal of Physical Chemistry A, vol. 111, no. 2, pp. 375-383, 2007.
S. Pal, Vaval, N., and Sajeev, Y., Shape resonance in electron molecule scattering using coupled cluster method, Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science, vol. 81, no. 10, pp. 1061-1067, 2007.