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.
212 related articles for article (PubMed ID: 22168686)
1. Boiling point determination using adiabatic Gibbs ensemble Monte Carlo simulations: application to metals described by embedded-atom potentials. Gelb LD; Chakraborty SN J Chem Phys; 2011 Dec; 135(22):224113. PubMed ID: 22168686 [TBL] [Abstract][Full Text] [Related]
2. Phase behavior of elemental aluminum using monte carlo simulations. Bhatt D; Schultz NE; Jasper AW; Siepmann JI; Truhlar DG J Phys Chem B; 2006 Dec; 110(51):26135-42. PubMed ID: 17181268 [TBL] [Abstract][Full Text] [Related]
3. 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]
4. Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations. Dinpajooh M; Bai P; Allan DA; Siepmann JI J Chem Phys; 2015 Sep; 143(11):114113. PubMed ID: 26395693 [TBL] [Abstract][Full Text] [Related]
5. Critical comparison of classical and quantum mechanical treatments of the phase equilibria of water. Wick CD; Schenter GK J Chem Phys; 2006 Mar; 124(11):114505. PubMed ID: 16555899 [TBL] [Abstract][Full Text] [Related]
6. Simulations of vapor water clusters at vapor-liquid equilibrium. Johansson E; Bolton K; Ahlström P J Chem Phys; 2005 Jul; 123(2):24504. PubMed ID: 16050756 [TBL] [Abstract][Full Text] [Related]
7. Transferable force field for equilibrium and transport properties in linear and branched monofunctional and multifunctional amines. II. Secondary and tertiary amines. Orozco GA; Nieto-Draghi C; Mackie AD; Lachet V J Phys Chem B; 2012 May; 116(21):6193-202. PubMed ID: 22551443 [TBL] [Abstract][Full Text] [Related]
8. Extension of the transferable potentials for phase equilibria force field to dimethylmethyl phosphonate, sarin, and soman. Sokkalingam N; Kamath G; Coscione M; Potoff JJ J Phys Chem B; 2009 Jul; 113(30):10292-7. PubMed ID: 19719285 [TBL] [Abstract][Full Text] [Related]
9. Phase equilibria of molecular fluids via hybrid Monte Carlo Wang-Landau simulations: applications to benzene and n-alkanes. Desgranges C; Delhommelle J J Chem Phys; 2009 Jun; 130(24):244109. PubMed ID: 19566144 [TBL] [Abstract][Full Text] [Related]
10. An anisotropic united atoms (AUA) potential for thiophenes. Pérez-Pellitero J; Ungerer P; Mackie AD J Phys Chem B; 2007 May; 111(17):4460-6. PubMed ID: 17408254 [TBL] [Abstract][Full Text] [Related]
11. Phase coexistence in heterogeneous porous media: a new extension to Gibbs ensemble Monte Carlo simulation method. Puibasset J J Chem Phys; 2005 Apr; 122(13):134710. PubMed ID: 15847492 [TBL] [Abstract][Full Text] [Related]
12. Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system. Hansen N; Jakobtorweihen S; Keil FJ J Chem Phys; 2005 Apr; 122(16):164705. PubMed ID: 15945697 [TBL] [Abstract][Full Text] [Related]
13. Molecular dynamics in the isothermal-isobaric ensemble: the requirement of a "shell" molecule. II. Simulation results. Uline MJ; Corti DS J Chem Phys; 2005 Oct; 123(16):164102. PubMed ID: 16268676 [TBL] [Abstract][Full Text] [Related]
14. 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; 29(15):2520-30. PubMed ID: 18478586 [TBL] [Abstract][Full Text] [Related]
15. Monte Carlo simulations of equilibrium solubilities and structure of water in n-alkanes and polyethylene. Johansson E; Bolton K; Theodorou DN; Ahlström P J Chem Phys; 2007 Jun; 126(22):224902. PubMed ID: 17581078 [TBL] [Abstract][Full Text] [Related]
16. Monte Carlo predictions of phase equilibria and structure for dimethyl ether + sulfur dioxide and dimethyl ether + carbon dioxide. Kamath G; Ketko M; Baker GA; Potoff JJ J Chem Phys; 2012 Jan; 136(4):044514. PubMed ID: 22299898 [TBL] [Abstract][Full Text] [Related]
17. Monte Carlo simulations of thermodynamic and structural properties of Mie(14,7) fluids. Nasrabad AE J Chem Phys; 2008 Apr; 128(15):154514. PubMed ID: 18433242 [TBL] [Abstract][Full Text] [Related]
18. A general perturbation approach for equation of state development: applications to simple fluids, ab initio potentials, and fullerenes. Paricaud P J Chem Phys; 2006 Apr; 124(15):154505. PubMed ID: 16674240 [TBL] [Abstract][Full Text] [Related]
19. Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an ab initio potential. Eskandari Nasrabad A; Laghaei R J Chem Phys; 2006 Aug; 125(8):084510. PubMed ID: 16965032 [TBL] [Abstract][Full Text] [Related]
20. Theoretical and computational investigations on thermodynamic properties, effective site diameters, and molecular free volume of carbon disulfide fluid. Eskandari Nasrabad A; Laghaei R J Chem Phys; 2006 Oct; 125(15):154505. PubMed ID: 17059270 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]