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X. Ye, J. Wang, M.-J. Hsieh, G. Cui, D. R. Roe, D. H. Mathews, M. G. Seetin,
C. Sagui, V. Babin, T. Luchko, S. Gusarov, A. Kovalenko, and P. A. Kollman
(2010), AMBER 11, University of California, San Francisco; (b) J. Wang,
R. M. Wolf, J. W. Caldwell, P. A. Kollman and D. A. Case, J. Comput. Chem.,
2004, 25, 1157; and (c) J. Wang, W. Wang, P. A. Kollman and D. A. Case,
J. Mol. Graphics Modell., 2006, 25, 247.
38 CPMD, Version 3.11.1, Copyright IBM Corp 1990-2006, Copyright MPI f ยจ r
Festk orperforschung Stuttgart 1997.
39 E. F. Pettersen, T. D. Goddard, C. C. Huang, G. S. Couch, D. M. Greenblatt,
E. C. Meng and T. E. Ferrin, J. Comput. Chem., 2004, 25, 1605.
40 N. Troullier and J. L. Martins, Phys. Rev. B., 1991, 43, 1993.
 
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