Hi, Could anybody suggest how can i determine the nature of FMOs of a molecule?

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What are the fundamental ideas of Monte Carlo dimensionality estimation, compared to Rasch residuals PCA?

I read an interesting article from Christensen (2007): A Monte Carlo approach to unidimensionality testing in polytomous rasch models. But do you have some further thoughts or maybe other...

08 August 2024 4,245 0 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

What is the solvent system required to run tlc for calixarenes?

If you don't understand my question let me know

21 July 2024 563 1 View

Sample size for qualitative study?

I am working on scale development in behavioral finance by undertaking a mixed-method approach using the exploratory sequential design. The phenomenon has diverse meanings in existing literature...

20 July 2024 9,153 11 View

How to convert available phosphorus to total phosphorus?

I need to convert Available phosphorus into total phosphorus

18 July 2024 6,799 3 View

Can it is possible to find the cleaved sequence when a protein cleaved by a heamaglutanin protease (HA/P) by any bioinformatics tools?

Bioinformatics tools like peptide cutter

15 July 2024 6,453 1 View

Can we progress towards defining obesity based on body fat content?

The burden of obesity is enormous. The greater challenge lies in accurately diagnosing obesity at the right time, reflecting the true increase in visceral fat. BMI may not accurately represent...

14 July 2024 8,771 4 View

How does high humidity affect the growth and development of crops?

10 July 2024 7,258 20 View

In what ways does high humidity impact the pollination process in agricultural plants?

10 July 2024 7,513 13 View

Do the parts of the body that are situated at a longer distance from the central nervous system have the least control & coordination comparatively?

What would be the effect of distance from CNC cum Heart on the structure and function of a particular part of the human body? Do short people have evolutionary advantages to control body parts in...

09 July 2024 2,052 3 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

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

Inquiry on Maximum Nucleic Acid Volume for 2.5 mL Liposome Solution?

I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...

30 July 2024 6,420 1 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View

How can I use DFT-D3 correction ( Siesta version 5.0.1)?

Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...

27 July 2024 5,748 0 View

EDC carbodiimide and NHS easter 's half life among different pH?

It has been long known that EDC carbodiimide and NHS easter's half life agains hydrolysis are highly related to pH. However, very surprisingly, not yet found a paper giving a table/chart of their...

25 July 2024 8,738 0 View

Mechanochemistry: ball to powder mass or ball to powder volume?

I run mechanochemical reactions that involves the use of a large amount of catalyst (1:1 molar ratio to the reactant). When I try to understand the effect of amount of catalyst on the reaction, I...

23 July 2024 9,938 1 View

What is the principle/mechanism behind aging of carbon (graphite) containing refractory mix for isostatically pressed refractories?

The resin bonded carbon containing refractories are aged before use. How time of aging is determined? And mechanism behind aging.

23 July 2024 3,205 0 View

How to eliminate the carry-over effect in GC-MS/MS system?

Hi, I am a PhD student working at Jagiellonian University, Faculty of Chemistry. My work is related to the development of new analytical methods for the quantification of short-chain fatty acids...

22 July 2024 5,492 6 View

MDCI module in Orca software?

Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...

21 July 2024 1,632 0 View