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Simulation of steady-state diffusion: driving force ensured by dual control volumes or local equilibrium Monte Carlo.
Ható Z, Boda D, Kristóf T. Ható Z, et al. Among authors: boda d. J Chem Phys. 2012 Aug 7;137(5):054109. doi: 10.1063/1.4739255. J Chem Phys. 2012. PMID: 22894334
The LEMC method has been introduced with the NP+LEMC technique, which was proved to be a fast, but somewhat empirical method to study diffusion [D. Boda and D. Gillespie, J. Chem. Theor. Comput. 8, 824 (2012)]. ...
The LEMC method has been introduced with the NP+LEMC technique, which was proved to be a fast, but somewhat empirical method to study diffus …
The role of solvation in the binding selectivity of the L-type calcium channel.
Boda D, Henderson D, Gillespie D. Boda D, et al. J Chem Phys. 2013 Aug 7;139(5):055103. doi: 10.1063/1.4817205. J Chem Phys. 2013. PMID: 23927288
Simulating this case has been made possible by our recent methodological development [D. Boda, D. Henderson, B. Eisenberg, and D. Gillespie, J. Chem. ...
Simulating this case has been made possible by our recent methodological development [D. Boda, D. Henderson, B. Eisenbe …
The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions.
Valiskó M, Boda D. Valiskó M, et al. Among authors: boda d. J Chem Phys. 2014 Jun 21;140(23):234508. doi: 10.1063/1.4883742. J Chem Phys. 2014. PMID: 24952553
The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born treatment. In our previous work [J. Vincze, M. Valisko, and D. Boda, "The nonmonotonic concentration dependence of the mean activ …
The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born tre …
309 results