How to remove Cu2O after the end of a reaction?

Hello Everyone, I am using Cu2O as an oxidizing agent in a reaction, however in the procedure given for this synthesis, the author simply mentioned "filter the product to remove Cu2O ". I am...

11 December 2018 7,315 10 View

How to obtained the Ipa and Ipc other parmeter of a CV graph manually in EC-Lab software used on the BioLogic elechtrochemistry workstation?

05 June 2017 1,795 3 View

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05 June 2017 6,870 1 View

Why the voltage of cyclic voltametry increases durin electropolymerization?

03 April 2017 6,507 5 View

How to instal Quantum Espresso on windows?

Dear All, I is greatly appreciated if someone help me to install Quantum Espresso on windows 7?

31 December 2016 1,269 9 View

What is the difference between 10^-24 CM^3 and esu unit ?

08 September 2016 559 0 View

A DFT code for the optimization of attached structure?

Dear All, Is there any DFT code (license free) that I can use for the optimization of the attached structure? I have tried it by Gaussian but after passing some days, it does not finished...

07 August 2016 2,514 9 View

I need a 3D structure of Chitosan polymer?

As part of my research I do need the 3D structure (preferebly the CIF or things like that) of Chitosan polymer that represents the bond lengths, angles and torsions. I am wondering if someone can...

07 August 2016 3,476 9 View

Analysis of sodim gluconate using USP monograph?

Dear all, I am analyzing sodium gluconate using USP monograph "http://www.pharmacopeia.cn/v29240/usp29nf24s0_m76600.html" Using the assay section I analyzed the sodium gluconate but I did not...

04 May 2016 7,051 2 View

PyQuante and Python starting guidlines?

Dear All, I am a beginner in programming using PyQquante and Python. I want to do DFT and other possible codes using these softwares. I would be grateful if someone help my in this regard?

03 April 2016 5,720 1 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Can we distinguish the type of free fluid inside the pelvic and abdominal cavities whether blood or serous fluid using the ultrasound?

during ultrasound examination of acute abdomen, sometimes we see free fluid , can we know the type of fluid ,whether blood or not , using ultrasound only? if yes , what are the sonographic...

01 March 2021 7,476 4 View

Can I download BibExcel for MacOs?

Hi everyone, I would like to ask how I can download BibExcel software for MacOs? There are some links which are supported by Windows but I could not find it for Mac. or is there any other software...

01 March 2021 652 1 View

How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 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

How does GROMACS calculate the average structure of proteins?

I want to get a average structure from a pdb file containing multiple models. I used the command below: gmx cluster -f input.pdb -s topol.tpr -cutoff 20 -method gromos -av GROMACS...

25 February 2021 6,314 1 View

Is there an open source free software for text mining and sentiment analysis?

I am looking for a free software for text mining and sentiment analysis for my research on customer review mining (it involves calculating polarity of attributes,opinion oriented information...

25 February 2021 1,920 6 View

Which are the journals for free paper publication?

A bunch of flower for everybody. I would like to ask about the list of journals which we can publish our paper for free. Thanks in advance. Sincerely Walid

25 February 2021 9,790 3 View

Suggestions for occupational stress surveys?

I am currently writing a masters thesis on reasons for occupational stress in the early childhood classroom, and want to include a short survey assessing participants work-related stress levels. I...

24 February 2021 8,678 2 View