How to choose planes in in-plane and out-of-plane bending modes of SiO4 tetrahedra (as seen in cement chemistry)?

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How to calculate the charge densities of valence band maximum (VBM) and conduction band minimum (CBM) of a system using Quantum ESPRESSO software?

Hello everyone, I am using Quantum ESPRESSO software to calculate the total charge density of the compounds. However, I am unable to calculate the charge densities of valence band maximum and...

06 June 2024 4,498 4 View

How is object segmentation and object detection are different?

How YOLOv8 is used to obtain the contours/object and calculate individual area

02 May 2024 5,396 3 View

How to get rid of "error termination in SCF gradient" in ORCA 5.0?

I am optimizing a small organic molecule in a triplet second excited state using TD-DFT in ORCA 5.0. It is giving error termination in SCF gradient. How to get rid of it? Check the error below....

30 April 2024 6,806 6 View

How can I get my desired DNA copies?

Hi all, I want to have 301 copies/ul for my downstream experiments. The sample I am using is a purified plasmid, of which I know the concentration (ng/ul), volume (ul), and molarity(g/mol). How...

20 April 2024 2,468 4 View

After formulating your hypothesis based on a problem statement , what are the important steps constructed within DS project life cycle ?

Please explain the importance of : 1. DOE - Design Of Experiment 2. Statistical Testing Process Document

12 March 2024 1,556 1 View

Can anyone suggest me how to ensure proper revival for the strain B. braunii UTEX 572?

I have bought strain B. braunii UTEX572 for my work, however, I do not see any positive growth after reviving it in both Bold 3N liquid and agar media supplemented with 10g/L glucose. Is there any...

10 March 2024 4,196 0 View

Could you tell me the cause of this problem?

A person has very little thirst, dry mouth. If he drinks water, the water is coming out through the urine, but his body lacks water. Why does this happen and what is the remedy?

16 February 2024 1,255 3 View

How to make agar plates using the drug 5-fluoroindole as it is light sensitive and sparingly soluble in water?

I need some suggestions on working with the drug 5-fluoroindole. I am working on green microalgae and trying to make my strain tryptophan auxotroph. However, I am unable to make proper drug plates...

14 February 2024 1,013 1 View

How to remove antibiotic markers from the microalgal genome post CRISPR-RNP based knock-in?

When CRISPR-Cas9 RNP-based gene knock-in is performed in green microalgae, the donor cassette will contain the GOI and some selection marker genes. Post the gene integration how do I remove the...

04 February 2024 6,667 1 View

How to quantify shifting of rainy day?

Due to global climate change, it has been observed that there is un-seasonal rainfall. Hence it is very much required to ascertain the change point in rainfall pattern as well as shifting in rainy...

29 January 2024 1,767 5 View

I have get this error when i calculated the geometrical optimization for prco3, it takes 12 hours until gives this message in the outputfile?

Fatal error in MPI_Allreduce: Other MPI error, error stack: MPI_Allreduce(1628)......: MPI_Allreduce(sbuf=000002459254A180, rbuf=000002459F86A140, count=4851, MPI_DOUBLE_COMPLEX, MPI_SUM,...

09 August 2024 7,615 1 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

Absorption coefficient of methane?

Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?

06 August 2024 980 5 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 might the impedance values for DI water and 0.1X PBS buffer solution exhibit a decreasing and increasing trend, respectively over time (HP 4194A)?

Hello everyone, I'm encountering an issue with my electrochemical impedance spectroscopy (EIS) measurements and would appreciate some insights. Experimental Setup: Electrodes: Gold interdigitated...

05 August 2024 3,783 2 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

Ankit Arora

Probably you are asking: how to define the reference plane for "in-plane" & "out-of-plane" vibrations? If yes, it's the plane of the molecule. Please refer to molecular symmetry, you will get an idea as what is the plane.

Yu Zhai

It is also a good idea to use visualization tools like molden to see what the vibrational modes are. Because there are only 5atoms, it is easy to find the answer just use your eyes.

Shaumik Ray

Thanks Ankit and Yu... I will check up on your suggestions.