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A transferable coarse-grained model for hydrogen-bonding liquids.
Golubkov PA, Wu JC, Ren P. Golubkov PA, et al. Among authors: ren p. Phys Chem Chem Phys. 2008 Apr 21;10(15):2050-7. doi: 10.1039/b715841f. Epub 2008 Feb 25. Phys Chem Chem Phys. 2008. PMID: 18688358 Free PMC article.
As a result, the coarse-grained model offers the transferability that is lacked by most current effective-potential based approaches. The previous center-of-mass framework (P. A. Golubkov and P. Ren, J. Chem. Phys., 2006, 125, 64103) is generalized here to in …
As a result, the coarse-grained model offers the transferability that is lacked by most current effective-potential based approaches. The pr …
Current status of the AMOEBA polarizable force field.
Ponder JW, Wu C, Ren P, Pande VS, Chodera JD, Schnieders MJ, Haque I, Mobley DL, Lambrecht DS, DiStasio RA Jr, Head-Gordon M, Clark GN, Johnson ME, Head-Gordon T. Ponder JW, et al. Among authors: ren p. J Phys Chem B. 2010 Mar 4;114(8):2549-64. doi: 10.1021/jp910674d. J Phys Chem B. 2010. PMID: 20136072 Free PMC article.
1,796 results