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Page 1
Reformulation of Ensemble Averages via Coordinate Mapping.
Schultz AJ, Moustafa SG, Lin W, Weinstein SJ, Kofke DA. Schultz AJ, et al. J Chem Theory Comput. 2016 Apr 12;12(4):1491-8. doi: 10.1021/acs.jctc.6b00018. Epub 2016 Mar 7. J Chem Theory Comput. 2016. PMID: 26950263
Virial coefficients of model alkanes.
Schultz AJ, Kofke DA. Schultz AJ, et al. J Chem Phys. 2010 Sep 14;133(10):104101. doi: 10.1063/1.3486085. J Chem Phys. 2010. PMID: 20849158
43 results