I'm looking for N-substition reactions of carbazole, does anyone have any tips for these in order to get efficent yield and simple synthesis protocol?

I want to synthesize N-phenyl Carbazole

31 December 2017 6,880 6 View

How to remove chloramine T?

06 July 2016 881 3 View

On the basis of the 1H NMR spectrum, how to estimate that he quantity of absorbed solvent?

09 October 2015 5,069 0 View

What are other causes of red shift in fluorescence spectra of chromophore apart from pi-pi stacking?

My sample contains anthracene derivative with a solvent means solvate, I have done SXRD there is no such pi--pi stacking but it showed red shift don't know how to explain. if someone have...

05 June 2015 502 7 View

What is structure factor or Rietveld data file in CIF format?

I want to submit paper to one of willey journal, I successfully upload Cif then the system asked me to upload structure factor or Rietveld data file in CIF format. I don't know that. Need help

05 June 2015 3,071 0 View

How to dissolve?

I crystallize my compound from methanol one year before now I want to dissolve it in the same solvent it didn't work out . Any suggestion please on how to dissolve it again

04 May 2015 5,017 0 View

Can someone suggest a book about basics of crystallography?

Can someone suggest me or share here book about basics of crystallography. I don't have major in crystallography.

03 April 2015 4,470 10 View

Can anyone help me how to describe the SEM image?

I have done SEM analysis for my crystal, don't know how to describe it and which image should I put in paper. Thanks

03 April 2015 4,134 5 View

Why the fluorophore has a larger dipole moment in the excited state?

Can anyone tell me

01 February 2015 426 4 View

How to calculate void space volume of unit cell using Platon?

Does anyone knows

01 February 2015 7,682 0 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

How to make a time series imputation benchmark ?

Hello ! In a work, I have to benchmark different algorithms to fill in missing values in time series. I insist on the fact that this is imputation and not forecasting. In my case, I have access...

24 February 2021 7,470 7 View

What are the pros and cons for mice versus rats?

Hi Everyone, I am designing a pilot study using rodents to assess the effects of simulated space environments (radiation + altered gravity) on microbiome and immune system. I have limited...

24 February 2021 1,825 3 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

Using the Pfaffl method: Is it possible that the ratio of the calibrator does not equal 1?

Hi all, I have a question regarding calculations using the Pfaffl method. I have 3 groups per experiment: 1 control group (calibrator) and 2 treatment groups with 6 to 7 biological repeats per...

19 February 2021 8,351 2 View

How to discretize a continuous time state-space model in MATLAB correctly?

I am trying to discretize a continuous time state space model using the following code s=tf('s'); G=1/(Iyy*(s^2)) Gs=ss(G) Gd=c2d(Gs,0.01,'zoh'); Now, when i use this discretized model 'Discrete...

30 January 2021 8,665 10 View

How to calculate radial distribution function (RDF) of a complex from Ab initio MD simulation trajectory?

Hi all, Is there any software or webserver to read the molecular dynamics (MD) simulation trajectory which obtained from Ab initio MD simulation to calculate the atom-atom radial distribution...

25 January 2021 9,474 3 View

SAR X-Band constellation from Capella Space?

Dear all, I'd like to open here a sort of forum for understanding how the geodesists community is moving in view of the X-band SAR satellite constellation. The new constellation will offer new...

24 January 2021 6,248 0 View

Solving diffusion- reversible chemical reaction equation: How to solve both terms numerically?

I am using finite difference method to discretize the parabolic equation (explicit method), but confused about the chemical reaction term. Solving the generic equation for i specie involves a...

24 January 2021 1,149 18 View

Doubt in DFT geometry preparation?

Hi all, I am trying to perform some ab inito DFT calculations using cp2k code. I have a unit cell of 120 atoms and would like to know how to refine or reduce the number of atoms in the unit cell...

20 January 2021 6,024 3 View