How to reduce noise on xrd data of a metal sample.Is it any software for smooth plotting of graph??

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How to retain the structure after optimization using Gaussian 16?

Dear Experts I have optimized an organic molecule using DFT/B3lYP/ 6-311G using Gaussian16. However, after the optimization, it was found that some bonds were missing from the molecule's...

17 May 2024 9,828 1 View

How do I take back my paper from preprint on research gate?

I want to remove my article on Quantum key distribution from preprint version on your we bsite.

08 May 2024 2,383 1 View

How to add parameters for "atotypin" ligand type?

I am running docking by using Autodock 4.2 software. However, I am not able to run autodock at the final stage and this type of command error appears in the terminal, Unknown ligand atom type...

10 March 2024 4,317 2 View

Biochar amount calculation with volume ?

I am incorporating biochar treatment in my experiment. I have container volume of 1.5m*1.5.*1m. The application rate of biochar is 20t/ha (i.e 2kg/m2). I will do a surface treatment for 0-20 cm....

23 January 2024 2,473 4 View

How to calculate force field parameters for md simulations ?

Kindly explain how to calculate all the parameters listed in the image , the below data is for polyetehelyne.

29 October 2023 9,588 2 View

Which is the best Web Server for ADMET Predictions helpful for publications ?

I have a few samples and I want to evaluate pharmacokinetics and drug-likeness for the publication, which web server or tool is accepted by the publisher.

13 September 2023 7,489 4 View

Can 2 nano particles deposit in silicon surface using wet etching process ?

Wet isotropic etching of silicon

16 August 2023 3,363 1 View

Can anyone please help me with DAB enhanced Perl's Prussian blue staining of brain tissue sections?

After staining, the sections appear very light. Should I increase the incubation time in DAB?

18 June 2023 704 1 View

How to assess the purity of mitochondrial fraction obtained by differential centrifugation from mouse brain?

I have tried to check the purity using Abcam's membrane fraction antibody (ab140365). If you have used the same antibody, can you please share your blots?

18 June 2023 743 1 View

Which are the target protien sites in Bacillus subtilis for docking studies ?

PDB Code of protein or name

14 June 2023 1,237 4 View

What is meant by baseline of FTIR data?

I got comment on my FTIR data figure from a reviewer. The reviewer said "FTIR data in Figure should be repeated. there is no bassline." I made Y off set comparison graph of FTIR on OriginLab. Can...

03 August 2024 6,070 3 View

Is the mentioned CV graph a valid one as this graph have only one peak prominent (reduction)?

I have used Prussian blue nanoparticles as a redox couple. The PBNPs have been made using only one salt precursor. Also, during scan rate studies, a small oxidation peak can be consistently found...

31 July 2024 9,697 0 View

Entropy measure and QSPR modeling in Graph Theor. How to construct the table for lengthy equation?

The entropy measured of molecular graphs plays a crucial rule. The network structures in some cases are very lengthy calculations to handle. Some author avoid to construct table where as most...

30 July 2024 3,126 0 View

There is possible way to calculate experimental DOS from the UPS spectrum of the material. How to calculate the DOS from UPS?

Here, I have attached the UPS graph. I'm trying to calculate the DOS/DOVS from the UPS.

29 July 2024 4,971 1 View

What is the relationship between the threshold voltage and the device's noise performance, particularly in terms of flicker noise and thermal noise?

The threshold voltage (Vth) of a MOS device plays a crucial role for its operation. At the same time, noise is an intrinsic factor. So how noise (flicker or thermal) change with the change in...

29 July 2024 3,246 0 View

Critique Calculaltion in Topological Indices and QSPR Modeling?

The first step is to analyze a 2D molecular graph and implement partitioning techniques to calculate the topological indices. Secondly impose statically tools to generate QSPR model, may or may...

24 July 2024 9,644 1 View

How to do calculation of Louvain methods calculation for excel sheet and and is there any software available?

The Louvain method – named after the University of Louvain where Blondel et al. developed the algorithm – finds communities by optimizing modularity locally for every node’s neighborhood, then...

23 July 2024 6,659 0 View

Is there a name for this type of function?

Let n∈ℕ, where the function f:A⊆ℝ𝑛→ℝ, 𝐴 is Borel, and (A,d) is a completely seperable space. What is the name of the functions where the graph of f in any (n+1)-dimensional box of A×ℝ is...

17 July 2024 258 1 View

Why is linearity somewhat lost when plotting the Stern-Volmer (SV) graph?

When preparing a graph of fluorophore intensity vs. analyte concentration, the linearity shows an R² of 0.999. However, when plotting the same data as Fo/F vs. analyte concentration, the linearity...

13 July 2024 7,131 0 View

Can you please help me with a cyclic voltammetry?

Hi, I was wondering if you could help. When I take CV in GC electrode with the solution of InCl3 0.01M + citric acid 0.01M + NaCl 0.1M, I get such a graph, how can I correct it so that the...

11 July 2024 5,024 1 View