461 related articles for article (PubMed ID: 16852608)
21. Monte Carlo molecular simulation of the hydration of K-montmorillonite at 353 K and 625 bar.
Chávez Mde L; de Pablo L; de Pablo JJ
Langmuir; 2004 Nov; 20(24):10764-70. PubMed ID: 15544414
[TBL] [Abstract][Full Text] [Related]
22. Solubility of KF and NaCl in water by molecular simulation.
Sanz E; Vega C
J Chem Phys; 2007 Jan; 126(1):014507. PubMed ID: 17212500
[TBL] [Abstract][Full Text] [Related]
23. Pressure derivatives in the classical molecular-dynamics ensemble.
Meier K; Kabelac S
J Chem Phys; 2006 Feb; 124(6):64104. PubMed ID: 16483193
[TBL] [Abstract][Full Text] [Related]
24. Continuous Fractional Component Monte Carlo: An Adaptive Biasing Method for Open System Atomistic Simulations.
Shi W; Maginn EJ
J Chem Theory Comput; 2007 Jul; 3(4):1451-63. PubMed ID: 26633216
[TBL] [Abstract][Full Text] [Related]
25. Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions.
Yin DW; Olvera de la Cruz M; de Pablo JJ
J Chem Phys; 2009 Nov; 131(19):194907. PubMed ID: 19929076
[TBL] [Abstract][Full Text] [Related]
26. Effective potentials for 1:1 electrolyte solutions incorporating dielectric saturation and repulsive hydration.
Lenart PJ; Jusufi A; Panagiotopoulos AZ
J Chem Phys; 2007 Jan; 126(4):044509. PubMed ID: 17286489
[TBL] [Abstract][Full Text] [Related]
27. Computation of binding free energy with molecular dynamics and grand canonical Monte Carlo simulations.
Deng Y; Roux B
J Chem Phys; 2008 Mar; 128(11):115103. PubMed ID: 18361618
[TBL] [Abstract][Full Text] [Related]
28. Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms.
Malasics A; Gillespie D; Boda D
J Chem Phys; 2008 Mar; 128(12):124102. PubMed ID: 18376903
[TBL] [Abstract][Full Text] [Related]
29. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
Murarka RK; Liwo A; Scheraga HA
J Chem Phys; 2007 Oct; 127(15):155103. PubMed ID: 17949219
[TBL] [Abstract][Full Text] [Related]
30. Simulation of the gyroid phase in off-lattice models of pure diblock copolymer melts.
Martínez-Veracoechea FJ; Escobedo FA
J Chem Phys; 2006 Sep; 125(10):104907. PubMed ID: 16999550
[TBL] [Abstract][Full Text] [Related]
31. The free energy of the metastable supersaturated vapor via restricted ensemble simulations.
Nie C; Geng J; Marlow WH
J Chem Phys; 2007 Oct; 127(15):154505. PubMed ID: 17949171
[TBL] [Abstract][Full Text] [Related]
32. Thermodynamic characterization of fluids confined in heterogeneous pores by monte carlo simulations in the grand canonical and the isobaric-isothermal ensembles.
Puibasset J
J Phys Chem B; 2005 Apr; 109(16):8185-94. PubMed ID: 16851957
[TBL] [Abstract][Full Text] [Related]
33. Molecular dynamics in the isothermal-isobaric ensemble: the requirement of a "shell" molecule. III. Discontinuous potentials.
Uline MJ; Corti DS
J Chem Phys; 2008 Jul; 129(1):014107. PubMed ID: 18624470
[TBL] [Abstract][Full Text] [Related]
34. Interactions between spherical colloids mediated by a liquid crystal: a molecular simulation and mesoscale study.
Kim EB; Guzman O; Grollau S; Abbott NL; de Pablo JJ
J Chem Phys; 2004 Jul; 121(4):1949-61. PubMed ID: 15260747
[TBL] [Abstract][Full Text] [Related]
35. Molecular simulation with variable protonation states at constant pH.
Stern HA
J Chem Phys; 2007 Apr; 126(16):164112. PubMed ID: 17477594
[TBL] [Abstract][Full Text] [Related]
36. Electrolyte exclusion from charged adsorbent: replica Ornstein-Zernike theory and simulations.
Luksic M; Hribar-Lee B; Vlachy V
J Phys Chem B; 2007 May; 111(21):5966-75. PubMed ID: 17488109
[TBL] [Abstract][Full Text] [Related]
37. Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency tests.
Moučka F; Nezbeda I; Smith WR
J Chem Phys; 2013 Sep; 139(12):124505. PubMed ID: 24089784
[TBL] [Abstract][Full Text] [Related]
38. Computation of surface tensions using expanded ensemble simulations.
de Miguel E
J Phys Chem B; 2008 Apr; 112(15):4674-9. PubMed ID: 18358023
[TBL] [Abstract][Full Text] [Related]
39. Isobaric-isothermal monte carlo simulations from first principles: application to liquid water at ambient conditions.
McGrath MJ; Siepmann JI; Kuo IF; Mundy CJ; VandeVondele J; Hutter J; Mohamed F; Krack M
Chemphyschem; 2005 Sep; 6(9):1894-901. PubMed ID: 16080220
[TBL] [Abstract][Full Text] [Related]
40. Phase separation in mixtures of Yukawa and charged Yukawa particles from Gibbs ensemble Monte Carlo simulations and the mean spherical approximation.
Kristóf T; Boda D; Henderson D
J Chem Phys; 2004 Feb; 120(6):2846-50. PubMed ID: 15268431
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
