These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
253 related articles for article (PubMed ID: 21395331)
1. Transferable potentials for phase equilibria-coarse-grain description for linear alkanes. Maerzke KA; Siepmann JI J Phys Chem B; 2011 Apr; 115(13):3452-65. PubMed ID: 21395331 [TBL] [Abstract][Full Text] [Related]
2. TraPPE-UA force field for acrylates and Monte Carlo simulations for their mixtures with alkanes and alcohols. Maerzke KA; Schultz NE; Ross RB; Siepmann JI J Phys Chem B; 2009 May; 113(18):6415-25. PubMed ID: 19358558 [TBL] [Abstract][Full Text] [Related]
3. Transferable potentials for phase equilibria-united atom description of five- and six-membered cyclic alkanes and ethers. Keasler SJ; Charan SM; Wick CD; Economou IG; Siepmann JI J Phys Chem B; 2012 Sep; 116(36):11234-46. PubMed ID: 22900670 [TBL] [Abstract][Full Text] [Related]
4. The CUMULUS coarse graining method: transferable potentials for water and solutes. van Hoof B; Markvoort AJ; van Santen RA; Hilbers PA J Phys Chem B; 2011 Aug; 115(33):10001-12. PubMed ID: 21740053 [TBL] [Abstract][Full Text] [Related]
5. The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials. Izvekov S; Chung PW; Rice BM J Chem Phys; 2010 Aug; 133(6):064109. PubMed ID: 20707563 [TBL] [Abstract][Full Text] [Related]
6. Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. Lubna N; Kamath G; Potoff JJ; Rai N; Siepmann JI J Phys Chem B; 2005 Dec; 109(50):24100-7. PubMed ID: 16375402 [TBL] [Abstract][Full Text] [Related]
7. Transferability of coarse-grained force fields: the polymer case. Carbone P; Varzaneh HA; Chen X; Müller-Plathe F J Chem Phys; 2008 Feb; 128(6):064904. PubMed ID: 18282071 [TBL] [Abstract][Full Text] [Related]
8. Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine. Wick CD; Stubbs JM; Rai N; Siepmann JI J Phys Chem B; 2005 Oct; 109(40):18974-82. PubMed ID: 16853443 [TBL] [Abstract][Full Text] [Related]
9. Pressure dependence of the vapor-liquid-liquid phase behavior in ternary mixtures consisting of n-alkanes, n-perfluoroalkanes, and carbon dioxide. Zhang L; Siepmann JI J Phys Chem B; 2005 Feb; 109(7):2911-9. PubMed ID: 16851304 [TBL] [Abstract][Full Text] [Related]
10. Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites. Rzepiela AJ; Louhivuori M; Peter C; Marrink SJ Phys Chem Chem Phys; 2011 Jun; 13(22):10437-48. PubMed ID: 21494747 [TBL] [Abstract][Full Text] [Related]
11. SAFT-γ Force Field for the Simulation of Molecular Fluids. 5. Hetero-Group Coarse-Grained Models of Linear Alkanes and the Importance of Intramolecular Interactions. Rahman S; Lobanova O; Jiménez-Serratos G; Braga C; Raptis V; Müller EA; Jackson G; Avendaño C; Galindo A J Phys Chem B; 2018 Oct; 122(39):9161-9177. PubMed ID: 30179489 [TBL] [Abstract][Full Text] [Related]
12. Mie potentials for phase equilibria calculations: application to alkanes and perfluoroalkanes. Potoff JJ; Bernard-Brunel DA J Phys Chem B; 2009 Nov; 113(44):14725-31. PubMed ID: 19824622 [TBL] [Abstract][Full Text] [Related]
13. Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100. Müller EA; Mejía A J Phys Chem B; 2011 Nov; 115(44):12822-34. PubMed ID: 21932822 [TBL] [Abstract][Full Text] [Related]
14. Chemically transferable coarse-grained potentials from conditional reversible work calculations. Brini E; van der Vegt NF J Chem Phys; 2012 Oct; 137(15):154113. PubMed ID: 23083154 [TBL] [Abstract][Full Text] [Related]
15. Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria. Rai N; Bhatt D; Siepmann JI; Fried LE J Chem Phys; 2008 Nov; 129(19):194510. PubMed ID: 19026069 [TBL] [Abstract][Full Text] [Related]
17. SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes. Avendaño C; Lafitte T; Adjiman CS; Galindo A; Müller EA; Jackson G J Phys Chem B; 2013 Mar; 117(9):2717-33. PubMed ID: 23311931 [TBL] [Abstract][Full Text] [Related]
18. Transferable potentials for phase equilibria. 10. Explicit-hydrogen description of substituted benzenes and polycyclic aromatic compounds. Rai N; Siepmann JI J Phys Chem B; 2013 Jan; 117(1):273-88. PubMed ID: 23205778 [TBL] [Abstract][Full Text] [Related]
19. A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma). Lymperiadis A; Adjiman CS; Galindo A; Jackson G J Chem Phys; 2007 Dec; 127(23):234903. PubMed ID: 18154411 [TBL] [Abstract][Full Text] [Related]
20. Mapping atomistic simulations to mesoscopic models: a systematic coarse-graining procedure for vinyl polymer chains. Milano G; Müller-Plathe F J Phys Chem B; 2005 Oct; 109(39):18609-19. PubMed ID: 16853395 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]