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Questions related from Ilia Anisa
why we need to use cumulative yield while plotting the graph of yield vs time instead of using non-cumulative? since for thermal labile compounds, the degradation (reducing of yield) observe for...
12 December 2014 2,848 6 View
if I have model in partial differential equation with Neumann boundary conditions, how can i do the curve-fitting with experimental data? I've planned to use optimization toolbox with lsqcurvefit...
12 December 2014 5,954 16 View
i am facing a problem while running MD simulation of my system. i set the ensemble as NPT to identify the density. Then I changed to NVT with new density with same desired temperature. I found...
05 May 2014 4,974 2 View
I simulated my sample but I just recognized that I input the data in degree unit. Or do I need to change into radian and run again?
05 May 2014 430 2 View
In one journal I read the real pressure was 25MPa, but in MD simulation, they applied 18.6MPa only. In my study, I used 10MPa but I don't know how to predict the pressure in MD simulation?...
04 April 2014 2,145 5 View