Growing crystals for X-ray analysis.
Two-solvent system is the best method. One of them is a poor solvent such as petroleum ether, and the other one is a good solvent such as benzene.
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
Metal-containing heterogeneous catalysts often need to be calcined before reduction, so what are some examples of catalysts that perform better without calcination? What is the reason and how many...
05 August 2024 909 2 View
We have an original Alluaudite-Molybdate we want to test for catalysis and photocatalysis applications.
04 August 2024 2,261 1 View
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
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
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
FYI Catalyst is MFI zeolite Si/Al = 140,25.40.11.5,15 I am using this catalyst to study methanol to DME conversion
25 July 2024 2,486 2 View
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
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
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