biblio

Filters: Author is Shao, Yihan  [Clear All Filters]
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.
2015
Y. Shao, Gan, Z., Epifanovsky, E., Gilbert, A. T. B., Wormit, M., Kussmann, J., Lange, A. W., Behn, A., Deng, J., Feng, X., and Ghosh, D., “Advances in molecular quantum chemistry contained in the Q-Chem 4 program package”, Molecular Physics, vol. 113, no. 2, pp. 184-215, 2015.
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.