Density functional theory calculations?

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Is a pairwise test suitable for this scenario?

I have two groups of mice: A and B with two strains: 'XYZ' and 'ABC', and I have 3 samples of each strain, so 3 replicate values? Endpoints were similar but I need to compare cell type...

15 May 2024 1,264 0 View

Endogeneity Analysis without the access of raw data?

I currently have the correlation/covariance matrix for a set of variables, as well as the output from a regression analysis, but lack access to the underlying raw dataset. Given these...

03 March 2024 6,116 4 View

How to quantify the CO2 uptake for a Hempcrete block? Any instrumental methods ?

I want to quantify the CO2 uptake for a hempcrete panel (Eg: 5 years) any instrumental methods or any other methods to find this data?

04 November 2023 5,248 0 View

Low silhouette score yet better clustering result?

I applied k-means and k-medoids clustering techniques on iris dataset, in particular I clustered with respect to sepal length and sepal width features across 4 classes. With k=3 using k-means I...

23 September 2023 8,817 2 View

How to create Affinity – Steady State 1:1 model in OrignPro?

Hello there, I would like to analyze my SPR data and create a affinity - steady state 1:1 model as shown in below attachment. Could you please help me on how to build a model/function in...

16 August 2023 4,992 0 View

How to add elevation information to vegetation map (raster) to create a 3D model?

I have the vegetation map (raster) as well as the DEM (raster) of a study area. I want to add elevation information to the vegetation map and create a 3D map of the study area using...

12 June 2023 6,183 6 View

Fault management in SDN?

Hello all, Can anybody suggest me how to achieve reliability , fault tolerance in SDN. Further will mininet simulator is good to calculate the performance, reliability etc of SDN In future can I...

26 November 2019 9,702 4 View

Shimadzu/ Agilent Refractive index detector is compatible with Waters HPLC system?

Can we connect Shimadzu/ Agilent Refractive index detector to Waters HPLC system? Would like to know the compatibility issues.

03 April 2019 2,277 5 View

Evacuation of Biochars is not happening for long time during BET analysis?

Hi, All. I am facing a problem in BET analysis. I have prepared biochars by devolatilizing at high temperature at 950 degree Celsius in N2 gas environment. Now When i am trying to do the BET...

13 February 2019 4,005 4 View

Does anyone have some useful advice for isolating single clones for CRISPR transfected human cell lines?

I am currently trying to isolate single cell clones after CRISPR transfection. The CRISPR plasmid has OFP marker which I am using for FACS sorting. I had some success when I collected group of...

29 January 2018 1,020 3 View

Is changing the medium during the experiment overestimate the results?

I am experimenting with cancer and non-cancer cells in a 12-well plate for 4 days with a seeding density 1*10^4/well, however, I noticed that the control group growth rate slows down on D3. Should...

07 August 2024 2,283 2 View

Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

07 August 2024 269 3 View

Should I include H atom into C3N5 when i am doing DFT modelling?

Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...

07 August 2024 8,414 2 View

Are there any good simple systems or platforms to recommend?

In order to show people the beauty of control and enhance enthusiasm for learning control theories, are there any good simple systems or platforms to recommend?

05 August 2024 10,034 1 View

Why do exism movements become permanent dictatorship threats within liberal democracy thinking under majority rule-independent rule of law system?

Exism movements after gaining power within liberal democracies under majority rule and independent rule of law system become permanent dictatorship threats, but why this is the case is not clear...

04 August 2024 8,125 3 View

How to use Density Functional Theory to calculate carrier mobilities of solid system?

Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...

04 August 2024 8,894 1 View

The Optimal Experimental Approach for Gene Function Analysis?

What is the most suitable experimental setting to understand the consequences of a particular gene: (1) targeted degradation of the specific transcription factor (TF) of the gene, followed by...

04 August 2024 6,265 1 View

How can I calculate formation energy using VASP-Ab-initio?

I would like to calculate the formation energy of P2-Na0.67Fe0.5Mn0.5O2 based on DFT, what should I do step by step. Any help would be appreciated. Thanks.

29 July 2024 8,248 2 View

How to explain the different interaction between soluble and insoluble polymer in water?

Hello everyone, I am try to understand the differences interaction between insoluble and soluble polymers in water with metal ions and how theit charge density (of metal ions) affect the interaction.

29 July 2024 6,350 3 View

Hi there, someone has the SeinFit software for windows because I cannot download it?

DOS version.

29 July 2024 6,064 1 View

Matthew J. P. Hodgson

Parr and Yang defined the Fukui function as the partial derivative of the electron density with respect to the electron number Article Density Functional-Approach to the Frontier-Electron Theory ...

. Hence, its units are those of the electron density within the specific calcualtion.

Anantharaman Shivakumar, you're welcome!