Gcms sim method how to create ?

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What is the composition and density of LD OR CONVERTER GAS?

LD gas is produced during the process of steel making in Basic oxygen furnace. How can I calculate the density of LD Gas by using composition and molecular weight?

11 December 2015 8,431 3 View

2,4- Diphenoxy Acidic Acid Analysis in Water

I want to analyze water 2,4-D in HPLC. Can anyone tell me about reference methods, like USEPA methods? Currently I am following the method in GC-ECD but in HPLC the sample preparation is very...

03 April 2013 4,570 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

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

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

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

What are the principles of physical chemistry?

what are the main points

10 July 2024 9,236 5 View

What is the recommended type of pseudopotentials for QE?

Hello dear colleagues and professors Please what is the recommended type of pseudopotentials for QE? ultrasoft or norm conserving?? And from where get all types of pseudos (us, nc, pbe,...

09 July 2024 9,541 5 View

Is there any guidelines about zooming out a chromatogram?

Hi, Just curious to know that in chromatography, a chromatogram should be zoomed to what scale? 10 times of output , 50X or ..? Is there any regulation or general chapter which describes this?...

03 July 2024 3,119 6 View