Can Gaussian software use to simulate DFT+U calculations?

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Why does culture media turn unusual dark red after 72 hr incubation?

When performing Karyotying using Peripheral blood sample, we add 250 microliters (collected blood into heparin tube) in to 5 ml PB-MAX culture media and incubate it for 72 hrs in CO2 incubator....

15 October 2023 8,533 0 View

How to add plus charge on the N atom in gaussian 6 to this molecule?

When building the molecule in Gaussian 6, I need to know how to add a plus charge on the N atom.

05 December 2021 8,323 4 View

How to analyze Secondary data (Such as ROA, Total Assets, Firm Age) using Smart PLS? Is it need any prior cording of data?

I am using secondary data (ROA, Total assets, Firm age) and use structural equation modeling for data analysis. Hope to use SMART PLS software. May I know how to enter data into the package? is...

17 August 2021 3,537 3 View

Can anyone tell me how to reduce DFT calculation time?

I am using an intel core i5 and 4GB RAM computer to calculate DFT (6-31G basis set) calculations for C, N, S based polymers. I have GaussView 6.0 and Gaussian 09 Revision-D0.1 SMP. So, does anyone...

28 July 2021 8,869 2 View

What is the most appropriate basis set in DFT calculations(use Gaussian9) that can give satisfactory results for a big molecule that contains C, S, N?

I am interested in polymers that contain "Benzathiadiazine"

18 July 2021 9,727 6 View

How can I get past solar radiation data in Sri Lanka?

For my research need past solar radiation data in the Hambanthota district in Sri Lanka.

18 June 2021 8,593 10 View

How to find CdS/CdTe parameter values for Sentaurus simulation?

Hello, Currently our group is trying to understand the use of Sentaurus for solar cell simulations. As per now we have gain reasonable knowledge on the process, but still having some issues with...

06 November 2020 3,803 4 View

Do you know about coating materials for bio-polymer beads?

I am working under bio-polymer micro beads and need to coat my beads to improve its durability. Can you comment about those coating materials?

06 September 2020 2,575 4 View

Is there any way to design allele specific PCR primers for a single nucleotide "deletion"?

Hi, I am currently doing a research on Inborn errors of metabolism in Sri Lanka and for that, I need to develop a method to identify few SNPs and a single point deletion using allele specific PCR...

27 August 2020 2,575 4 View

Can you explain more experiences regarding research about "Guar Gum and oil emulsions" ?

Dear all, I would like to know about guar gum as coating material for oil encapsulation. Please Suggest...? Need to find research experiences under Guar gum.....

19 July 2020 5,040 2 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 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

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

My frequency output shows no errors, however, there's no frequency as a result on gausview. Does anyone know what I'm doing wrong?

I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...

31 July 2024 631 4 View