261 related articles for article (PubMed ID: 20849158)
1. Virial coefficients of model alkanes.
Schultz AJ; Kofke DA
J Chem Phys; 2010 Sep; 133(10):104101. PubMed ID: 20849158
[TBL] [Abstract][Full Text] [Related]
2. Mayer-sampling Monte Carlo calculations of uniquely flexible contributions to virial coefficients.
Shaul KR; Schultz AJ; Kofke DA
J Chem Phys; 2011 Sep; 135(12):124101. PubMed ID: 21974506
[TBL] [Abstract][Full Text] [Related]
3. Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix monte carlo simulation and finite-size scaling.
Singh JK; Errington JR
J Phys Chem B; 2006 Jan; 110(3):1369-76. PubMed ID: 16471687
[TBL] [Abstract][Full Text] [Related]
4. Higher-order virial coefficients of water models.
Benjamin KM; Singh JK; Schultz AJ; Kofke DA
J Phys Chem B; 2007 Oct; 111(39):11463-73. PubMed ID: 17850128
[TBL] [Abstract][Full Text] [Related]
5. Fourth and fifth virial coefficients of polarizable water.
Benjamin KM; Schultz AJ; Kofke DA
J Phys Chem B; 2009 Jun; 113(22):7810-5. PubMed ID: 19435333
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Molecular simulation of diffusion of hydrogen, carbon monoxide, and water in heavy n-alkanes.
Makrodimitri ZA; Unruh DJ; Economou IG
J Phys Chem B; 2011 Feb; 115(6):1429-39. PubMed ID: 21254768
[TBL] [Abstract][Full Text] [Related]
8. Excess thermodynamics of mixtures involving xenon and light linear alkanes by computer simulation.
Carvalho AJ; Ramalho JP; Martins LF
J Phys Chem B; 2007 Jun; 111(23):6437-43. PubMed ID: 17516674
[TBL] [Abstract][Full Text] [Related]
9. Ab initio virial equation of state for argon using a new nonadditive three-body potential.
Jäger B; Hellmann R; Bich E; Vogel E
J Chem Phys; 2011 Aug; 135(8):084308. PubMed ID: 21895186
[TBL] [Abstract][Full Text] [Related]
10. Excess thermodynamic properties of mixtures involving xenon and light alkanes: a study of their temperature dependence by computer simulation.
Martins LF; Carvalho AJ; Ramalho JP; Filipe EJ
J Phys Chem B; 2011 Aug; 115(32):9745-65. PubMed ID: 21721582
[TBL] [Abstract][Full Text] [Related]
11. Probing the nucleation mechanism for the binary n-nonane/1-alcohol series with atomistic simulations.
Nellas RB; McKenzie ME; Chen B
J Phys Chem B; 2006 Sep; 110(37):18619-28. PubMed ID: 16970491
[TBL] [Abstract][Full Text] [Related]
12. Path-integral Mayer-sampling calculations of the quantum Boltzmann contribution to virial coefficients of helium-4.
Shaul KR; Schultz AJ; Kofke DA
J Chem Phys; 2012 Nov; 137(18):184101. PubMed ID: 23163358
[TBL] [Abstract][Full Text] [Related]
13. Characterization of polychlorinated alkane mixtures--a Monte Carlo modeling approach.
Jensen SR; Brown WA; Heath E; Cooper DG
Biodegradation; 2007 Dec; 18(6):703-17. PubMed ID: 17237980
[TBL] [Abstract][Full Text] [Related]
14. Molecular simulation and macroscopic modeling of the diffusion of hydrogen, carbon monoxide and water in heavy n-alkane mixtures.
Makrodimitri ZA; Unruh DJ; Economou IG
Phys Chem Chem Phys; 2012 Mar; 14(12):4133-41. PubMed ID: 22354458
[TBL] [Abstract][Full Text] [Related]
15. Liquid-vapor equilibria and interfacial properties of n-alkanes and perfluoroalkanes by molecular simulation.
Amat MA; Rutledge GC
J Chem Phys; 2010 Mar; 132(11):114704. PubMed ID: 20331313
[TBL] [Abstract][Full Text] [Related]
16. Rate constants for OH with selected large alkanes: shock-tube measurements and an improved group scheme.
Sivaramakrishnan R; Michael JV
J Phys Chem A; 2009 Apr; 113(17):5047-60. PubMed ID: 19348456
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. Effects of chain length on the rates of C-C bond dissociation in linear alkanes and polyethylene.
Knyazev VD
J Phys Chem A; 2007 May; 111(19):3875-83. PubMed ID: 17432834
[TBL] [Abstract][Full Text] [Related]
19. Calculation of pressure using the virtual-volume-variation method and the virial method from chain conformations obtained by Monte Carlo simulations on the second nearest neighbor diamond lattice.
Rane SS; Mattice WL; Choi P
J Chem Phys; 2004 Dec; 121(21):10674-9. PubMed ID: 15549952
[TBL] [Abstract][Full Text] [Related]
20. Calculation of rotational partition functions by an efficient Monte Carlo importance sampling technique.
Tafipolsky M; Schmid R
J Comput Chem; 2005 Nov; 26(15):1579-91. PubMed ID: 16145654
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]