Can I use wB97X-D functional in NWChem?

More Sk Jahiruddin's questions See All

What's wrong with my COMSOL model for turbulent flow in time dependent solver?

I am trying to simulate velocity field inside a domain of just ambient air (pressure is 1 atm & velocity is 10 m/s). There is a tank inside it which has a leakage. The leakage hole is leaking...

01 July 2024 2,249 0 View

How the CBM and VBM plots are made using VASP?

Hi all, I seen CBM and VBM plots in articles plotted using VASP, i pasted a part of the sample picture. I used to do with Gaussian, but can any one explain How exactly these could be plotted...

28 April 2024 5,155 4 View

The Fermi energy cannot be calculated for a bulk material. is it correct or not?

17 April 2024 6,217 0 View

In an L-fuzzy metric space, what is the topology on the Lattice L?

In an L-fuzzy metric space, what is the topology on the lattice L? We have the sequential definition of continuous T-norm in an L-fuzzy metric space. Without the topology, how can we talk about...

29 March 2024 2,401 0 View

Is there any field guide for identification of plants?

Please suggest how to identify the herbs, shrubs and trees in field

25 March 2024 7,172 6 View

Is there any method to isolate DNA from a clot blood sample preserved in RNA/DNA sheild buffer?

For DNA islolation

13 March 2024 7,635 4 View

Assessing the Impact of Urbanization on Agricultural Land?

Hi, "Assessing the Impact of Urbanization on Agricultural Land" I want to use Remote Sensing and GIS as tools to analyze the conversion of agricultural land to urban areas. Can anyone give...

24 December 2023 9,631 2 View

Can we culture the human PBMC with nanoparticle and do the metabalomics studies?

I want to know, can we culture the human PBMC with nanoparticle and do the metabalomics studies? Please let me know

15 December 2023 548 2 View

What is the difference between the items/statements of an attitude scale and a perception scale?

I want to know how to select the items both of these scales? & how should the items/statements of each scale be formulated or phrased?

02 December 2023 2,190 0 View

Mechanism of crystal staining?

Where does the crystal violet bind to when added to live and dead cells? Which part of the live cells they bind to?

09 October 2023 5,577 0 View

Ethylene glycol is newtonian or non newtonian fluid?

Some sources say it is treated as Newtonian as ethylene glycol has a higher viscosity than water, which affects the flow characteristics in simulations. But some also say it is non-Newtonian.

09 August 2024 2,111 2 View

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...

08 August 2024 8,329 0 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

Why is nonpoint source pollution potentially more harmful and difference between point and nonpoint sources of water pollution?

01 August 2024 1,180 2 View