How to calculate the polarizability and hyperpolarizability using NWChem ?

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To do a DNA molecular dynamics simulation using GROMACS do I have to constraint the back bone?

When visualize my simulation using pymol, one strand is going out of the box while other strand is remaining inside. To do the simulation, do i have to constraint the backbone?

26 April 2016 5,329 3 View

How to get rid of the jumps in rmsd calculation in gromacs??

I used the command g_rms -f ../run01/run01.trr -s ../run01/run01.tpr -o rmsd01.xvg -fit rot+trans -pbc to calculate rmsd. But there are jumps in the molecule. Can someone please explain how to get...

29 March 2016 9,202 3 View

What should be the minimum qualifications to become a reviewer?

Having a MSc/ MPhil/ PhD? Number of publications?

20 June 2013 4,983 28 View

Global Tea Market and COVID-19

How Covid -19 impact on global tea market..? tea is considered as one of healthy drink for covid, is there any changes is market, drinking and purchasing pattern of tea in global market

01 January 1970 1,203 8 View

How to quantify carbon deposition on CuZnAl catalyst?

Dear All, I want to quantify carbon deposition on the surface of the CuZnAl catalyst. I have tried thermogravimetric analysis, but I've got weight gain as the active Cu- get oxidised. Does anyone...

01 March 2021 1,907 3 View

Why Trivalent chromium start precipitating above PH 5 ? Moreover discuss difference between adsorption of chromium and precipitation of chromium ?

I am a student of MS Environmental Engineering and started my research phase. I am working on metal removal ( chromium iii ) by using activated carbon prepared from the agricultural feedstock. So...

01 March 2021 5,475 2 View

How can I assign a velocity along one direction to CO2 molecules in a molecular dynamics simulation using GROMACS?

Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...

26 February 2021 10,014 3 View

CGA 300 Regulator for CO2 cylinder?

Has anyone ever tried to deliver CO2 with a CGA 300 regulator? I know that a CGA 320 regulator is standard for CO2. The issue is that I currently do not have any free CGA 320 regulators. I also...

25 February 2021 3,292 3 View

What are the methods used for CNT..?

Respected Professor's i hope you are doing well and happy. i need some information about carbon Nanotubes. before blending the CNT with the matrix the CNT has been introducing in some treatments....

24 February 2021 5,383 5 View

How to clean up TEM grid with plasma cleaner?

I need to clean the hydrocarbon contamination on the carbon substrate of TEM grid. However, I heard that substrate could be broken by the powerful plasma. My substrate is pure carbon, with ~3nm,...

23 February 2021 3,262 5 View

What are some underexplored theories and concepts in Activated Carbon as A Water Filter?

Hi, me and my team mates are currently planning to pursue the topic of Activated Carbon from Coconut as a Water Filter. And we would like to ask for your suggestions and knowledge on what specific...

22 February 2021 6,569 3 View

What are some underexplored theories and concepts in Activated Carbon as A Water Filter?

Hi, me and my team mates are currently planning to pursue the topic of Activated Carbon from Coconut as a Water Filter. And we would like to ask for your suggestions and knowledge on what specific...

21 February 2021 7,561 4 View

What properties of water shall be analyzed and evaluated to test the effectiveness of activated carbon?

I would like to ask what other properties of water (pH and such) shall be analyzed and evaluated to test the effectiveness of activated carbon from filtering the contaminants present in the water?

20 February 2021 9,422 8 View

Who are the possible experts I can reach out to regarding the reseach topic: Activated Carbon as Water Filter?

Hi! Me and my team mates are currently new in doing a research study. We do not have any previous experiences in research. And we just wanted to know what type of experts (the field they in) can...

19 February 2021 9,596 4 View