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Hello Everyone, I have a time series of osmotic pressure values from MD simulation. I have discrete block average values from these time series. I would like to perform Mann-Kendall test for the...
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Dear All, I have a hypothetical question which resembles my current problem. any guidance will be helpful to understand my current observations in the study. Let's assume that: 1. I have a polymer...
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Please, can anyone provide me the literature for the value of open channel conductance ( Not conductivity) of 1 M BMIM-Cl in graphene nanopores having a diameter less than 10 nm? Thanks in advance.
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Dear All, I was optimizing a big molecule (222 atoms) using DFT theory. I was using opt+freq option. This job is crashed due to error saying "Error termination in NtrErr:" Unfortunately,while...
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I am studying translocation of dsDNA poly(AT)45 via graphene nanopore at 0.1080 V/nm electric field in 1 M KCL solution. The production run is performed in NVT ensemble using Nose-Hoover...
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Dear All, Recently I received a comment that octamer DNA sequence always crystallizes as A-DNA because end part of one DNA interacts with a major groove of the adjacent one. But some references...
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I am trying to optimize a pair of planar molecules interacting with each other (in a plane) by 2 Hydrogen bonds ( 2 O-H...O hydrogen bonds) using MOPAC2012 package on Linux. During PM7...
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