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Questions related from Hashim Shah
I want to implement a specific algorithm for an MD or Monte Carlo Simulation of large molecules. However, I am not familiar with how molecular topology is preserved in packages like AMBER etc. I...
13 February 2020 5,817 3 View
I am using AMBER for MD. However I am not able to figure out how to select atoms or residues to apply a harmonic restraint. I have crystal structure from PDB and and I want run MD simulations on...
09 October 2019 2,941 3 View
I am working with a protein (human histone deacetylase, a metalloprotein,pdb 2v5w). I want to run some simulation studies in amber but I am unable to add hydrogen to this molecule. How should...
18 September 2019 1,575 5 View
What assumptions, simplifications or approximations lead us from DFT to DFTB. And how are different DFTB theories different eg DFTB 1, DFTB2 etc?
03 July 2019 7,733 1 View
To prepare an epoxy embedded sample for corrosion testing, what should be the grit size of abrasion paper to smoothen the surface of metal. Why should we use a particular abrasion paper?
10 July 2017 5,812 3 View
Can we use Potassium Nitrate in Hummers method instead of sodium nitrate? How does the cation effect synthesis process?
02 June 2017 2,287 1 View
Hello, we are doing some corrosion testing of titanium based alloys which have been welded and heat treated. I would like to prepare a sample for corrosion rate measurements via Tafel Scans in...
17 May 2017 5,204 5 View
I was thinking to design a four probe resistance measurement device. However, I was curious about whether we can use a Gamry Potentiostat to measure the electrical conductivity of some solid or...
11 September 2016 9,790 6 View
How to grow polyaniline nanofibres on polyurethane sponge with and without CNT coating?We dissolve 0.6 ml of aniline in 100ml HCl and dipped polyurethane sponge into it for soaking for around 1...
29 January 2016 7,399 2 View
Since, usually ammonium persulfate is used to polymerize aniline into Polyaniline to make conductive polymer. Is it possible(under what conditions) to polymerize aniline with Potassium persulfate?...
03 October 2015 7,040 6 View
Hello! I am working on supercapacitors, I dont have Common Ionic liquids for use as electrolyte. Though I found that our repository has 1-Ethyl-3-methylimidazolium chloride. Is there any way by...
19 September 2015 9,599 6 View
I prepared SiO2 nanoparticles thin layer on glass slide by spin coating a precursor solution . The film formed but its adherence was very poor. It was removed even on a single touch? Slides were...
13 September 2015 3,026 5 View
Hello, I electrochemically exfoliated graphene from a graphite rod in Sodium Sulfate solution. Which was later collected by vacuum filtration and dispersed in DMF by sonication (Black appearance)...
05 August 2015 633 5 View
