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148 related items for PubMed ID: 15267796
41. Isomolar-semigrand ensemble molecular dynamics: application to vapor-liquid equilibrium of the mixture methane/ethane. Morrow TI, Maginn EJ. J Chem Phys; 2006 Nov 28; 125(20):204712. PubMed ID: 17144728 [Abstract] [Full Text] [Related]
42. Determination of fluid--solid transitions in model protein solutions using the histogram reweighting method and expanded ensemble simulations. Chang J, Lenhoff AM, Sandler SI. J Chem Phys; 2004 Feb 08; 120(6):3003-14. PubMed ID: 15268448 [Abstract] [Full Text] [Related]
43. Liquid-gas coexistence and critical point shifts in size-disperse fluids. Wilding NB, Fasolo M, Sollich P. J Chem Phys; 2004 Oct 08; 121(14):6887-99. PubMed ID: 15473748 [Abstract] [Full Text] [Related]
44. Leveraging Gibbs Ensemble Molecular Dynamics and Hybrid Monte Carlo/Molecular Dynamics for Efficient Study of Phase Equilibria. Gartner TE, Epps TH, Jayaraman A. J Chem Theory Comput; 2016 Nov 08; 12(11):5501-5510. PubMed ID: 27685170 [Abstract] [Full Text] [Related]
45. Monte carlo simulation of carboxylic acid phase equilibria. Clifford S, Bolton K, Ramjugernath D. J Phys Chem B; 2006 Nov 02; 110(43):21938-43. PubMed ID: 17064162 [Abstract] [Full Text] [Related]
46. Fast off-lattice Monte Carlo simulations with "soft" repulsive potentials. Wang Q, Yin Y. J Chem Phys; 2009 Mar 14; 130(10):104903. PubMed ID: 19292555 [Abstract] [Full Text] [Related]
48. Partial molar volume and solvation structure of naphthalene in supercritical carbon dioxide: a Monte Carlo simulation study. Stubbs JM, Drake-Wilhelm DD, Siepmann JI. J Phys Chem B; 2005 Oct 27; 109(42):19885-92. PubMed ID: 16853571 [Abstract] [Full Text] [Related]
49. Role of solvent in protein phase behavior: Influence of temperature dependent potential. Li J, Rajagopalan R, Jiang J. J Chem Phys; 2008 Jun 21; 128(23):235104. PubMed ID: 18570533 [Abstract] [Full Text] [Related]
50. Non-Hamiltonian molecular dynamics implementation of the Gibbs ensemble method. II. Molecular liquid-vapor results for carbon dioxide. Bratschi C, Huber H, Searles DJ. J Chem Phys; 2007 Apr 28; 126(16):164105. PubMed ID: 17477587 [Abstract] [Full Text] [Related]
51. Temperature dependence of hydrogen bonding: an investigation of the retention of primary and secondary alcohols in gas-liquid chromatography. Sun L, Wick CD, Siepmann JI, Schure MR. J Phys Chem B; 2005 Aug 11; 109(31):15118-25. PubMed ID: 16852913 [Abstract] [Full Text] [Related]
53. Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: development and implementation of the continuous fractional component move. Shi W, Maginn EJ. J Comput Chem; 2008 Nov 30; 29(15):2520-30. PubMed ID: 18478586 [Abstract] [Full Text] [Related]
55. The effects of chain length, embedded polar groups, pressure, and pore shape on structure and retention in reversed-phase liquid chromatography: molecular-level insights from Monte Carlo simulations. Rafferty JL, Siepmann JI, Schure MR. J Chromatogr A; 2009 Mar 20; 1216(12):2320-31. PubMed ID: 19203762 [Abstract] [Full Text] [Related]
59. Replica exchange Monte Carlo applied to hard spheres. Odriozola G. J Chem Phys; 2009 Oct 14; 131(14):144107. PubMed ID: 19831433 [Abstract] [Full Text] [Related]
60. Influence of the displacement out of the center of mass and nonaxiality of the dipole on the thermodynamics of liquids composed of linear dipole molecules. Lago S, Gámez F, Cortada M, Merkling PJ, Garzón B. J Phys Chem B; 2008 Jul 10; 112(27):8069-75. PubMed ID: 18553899 [Abstract] [Full Text] [Related] Page: [Previous] [Next] [New Search]