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Book Chapter
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.
Conference Paper
S. Pal, Complex absorbing potential based coupled-cluster methods to metastable states, in 248th National Meeting of the American-Chemical-Society (ACS), 1155 16th ST, NW, Washington, DC 20036 USA, 2014, vol. 248, p. Meeting Abstract: 504-COMP.
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.
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.
L. Ravichandran, Vaval, N., and Pal, S., Partial triples excitation to the fock space multi-reference singles and doubles: dipole moment of doublet radicals, in Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010), 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA, 2015, vol. 1642, pp. 223-226.
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.
S. Banik, Pal, S., and M. Prasad, D., Study of molecular vibration by coupled cluster method: bosonic approach, in Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010), 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA, 2015, vol. 1642, pp. 227-230.
Conference Proceedings
P. Uday Manohar, Shamasundar, K. R., Bag, A., Vaval, N., and Pal, S., On some aspects of fock-space multi-reference coupled-cluster singles and doubles energies and optical properties, Recent progress in coupled cluster methods: theory and applications, vol. 11. Springer, Netherlands, pp. 375-393, 2010.
Journal Article
M. K. Munshi, Gade, S. M., Mane, M. V., Mishra, D., Pal, S., Vanka, K., Rane, V. H., and Kelkar, A. A., 1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis, Journal of Molecular Catalysis A-Chemical, vol. 391, pp. 144-149, 2014.
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.
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.
S. Pal, Sajeev, Y., and Vaval, N., Analytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance, Chemical Physics, vol. 329, no. 1-3, pp. 283-289, 2006.
A. Ghosh, Vaval, N., and Pal, S., Auger decay rates of core hole states using equation of motion coupled cluster method, Chemical Physics, vol. 482 , pp. 160-164, 2017.
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.
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.
S. Banik, Pal, S., and M. Prasad, D., Calculation of dipole transition matrix elements and expectation values by vibrational coupled cluster method, Journal of Chemical Theory and Computation, vol. 6, no. 10, pp. 3198-3204, 2010.
S. Sasmal, Talukdar, K., Nayak, M. K., Vaval, N., and Pal, S., Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework, Journal of Chemical Sciences, vol. 128, no. 10, pp. 1671-1675, 2016.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework, Journal of Chemical Physics, vol. 143, no. 8, p. 084119, 2015.
S. Banik, Pal, S., and M. Prasad, D., Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies, Journal of Chemical Physics, vol. 129, no. 13, p. 134111, 2008.
A. Ghosh, Karne, A. S., Pal, S., and Vaval, N., CAP/EOM-CCSD method for the study of potential curves of resonant states, Physical Chemistry Chemical Physics, vol. 15, no. 41, pp. 17915-17921, 2013.
S. Saha, Roy, R. Kinkar, and Pal, S., CDASE-A reliable scheme to explain the reactivity sequence between Diels-Alder pairs, Physical Chemistry Chemical Physics, vol. 12, no. 32, pp. 9328-9338, 2010.
S. Shetty, Kulkarni, B. S., Kanhere, D. G., Goursot, A., and Pal, S., Comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory, Journal of Physical Chemistry B, vol. 112, no. 9, pp. 2573-2579, 2008.
S. V. Shedge, Carmona-Espindola, J., Pal, S., and Koster, A. M., Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed kohn-sham method: case study of the polarizabilities of disubstituted azoarene molecules, Journal of Physical Chemistry A, vol. 114, no. 6, pp. 2357-2364, 2010.
A. Ghosh, Vaval, N., Pal, S., and