biblio

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Filters: Author is Slipchenko, Lyudmila V.  [Clear All Filters]
2010
D. Ghosh, Kosenkov, D., Vanovschi, V., Williams, C. F., Herbert, J. M., Gordon, M. S., Schmidt, M. W., Slipchenko, L. V., and Krylov, A. I., “Non-covalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers”, Journal of Physical Chemistry A, vol. 114, no. 48, 2010.
2011
D. Ghosh, Isayev, O., Slipchenko, L. V., and Krylov, A. I., “Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk”, Journal of Physical Chemistry A, vol. 115, no. 23, pp. 6028-6038, 2011.
2013
D. Ghosh, Kosenkov, D., Vanovschi, V., Flick, J., Kaliman, I., Shao, Y., Gilbert, A. T. B., Krylov, A. I., and Slipchenko, L. V., “Effective fragment potential method in Q-CHEM: a guide for users and developers”, Journal of Computational Chemistry, vol. 34, no. 12, pp. 1060-1070, 2013.
2016
P. Kumar Gurunathan, Acharya, A., Ghosh, D., Kosenkov, D., Kaliman, I., Shao, Y., Krylov, A. I., and Slipchenko, L. V., “Extension of the effective fragment potential method to macromolecules”, Journal of Physical Chemistry B, vol. 120, no. 27, pp. 6562-6574, 2016.