biblio
Export 7 results:
Filters: Author is Pal, S. [Clear All Filters]
“Coupled cluster methods for autoionisation resonances”, International Reviews in Physical Chemistry, vol. 33, no. 3, pp. 397-425, 2014.
, “Effects of conjugation length and donor-acceptor functionalization on the non-linear optical properties of organic push-pull molecules using density functional theory”, Journal of Molecular Structure-Theochem, vol. 715, no. 1-3, pp. 59-64, 2005.
, , “Quantitative comparison of strategies to delay clogging in straight capillaries”, Chemical Engineering Science, vol. 199, pp. 88-99, 2019.
, “Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: application to ionization potential”, Journal of Chemical Physics, vol. 145, no. 7, 2016.
, , “Static hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach”, in International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, 233 Spring Street, New York, NY 10013, United States, 2010, pp. 99-109.
,