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Questions related from Gonzalo R. Quezada
Hello dear community, I want to know if form magnesium oxide MgO you can form magnesium hydroxide in the form of brucite. I can form brucite from MgCl2 by increasing pH. Kind regards
13 November 2023 2,614 0 View
Hello dear community, I want to use Dmol3 to do quantum calculations of Magnetite, but I'm new in this case and dont know how to choose the parameteres. I attach a figure of this system. Kind regards
16 October 2023 8,847 0 View
Hi all, I had simulate charged polymers and surfaces, and is very common to have interaction of ion bridge (or ionic crosslinking) which consist of and interaction of two equally charged groups...
25 June 2020 1,774 1 View
Greetings, I need the surface charge density of particulate solid at diferent pH. I have tried from the surface complexation model but there are several things missing. I only have the zeta...
28 September 2018 3,692 2 View
Hi I use the gromacs package (2016) for simulate polarized water and ions. When I try to use the h2order for water orientation I get wrong results (file attach). I use the make_ndx to create a...
25 July 2018 2,761 2 View
Hello, I using gromacs 5 and want to choose how many processors to use in a simulation. For choosing GPUs I have read the mdrun function page which is easy to do it, but for cpu I haven't found...
07 March 2017 710 4 View
I'm using Gromacs 5.0.2 for a MD simulation with polymer in a saline solution, but the parameters for the polymers are not know, so I'm using OPLS, but this create a incompatibility with the other...
27 April 2016 1,019 3 View
