Anybody working on XRD, FTiR, DSC and TGA.....
IR mostly and some XRD
my work basicaly depends on that analyses
yes bhawna you need some help
Hello! I'm trying to get crystal of a compound which is having hydrogen bonding. thus, I'm trying to get crystals using polar aprotic solvents. Among those, the compound is completely soluble in...
23 April 2024 5,550 0 View
Fast publication Scopus/SCI journals for digital image encryption-related works.
06 April 2024 9,906 0 View
What are different ways of modelling and simulation of cascade refrigeration cycleusing natural refrigerants on MATLAB without using simscape ? How to write program for it and connect MATLAB...
02 April 2024 487 2 View
I don't see an exact rsolv value for non linear molecules or even linear molecules as such.
12 March 2024 9,069 0 View
GIS integrates spatial data with other data types to provide comprehensive insights into the geographical aspects of tourism. What data types pertatining to tourism studies can be synthesized with...
06 March 2024 5,015 1 View
Hello! I have synthesized a new material, however I'm currently struggling with getting the proper structure of the compound. I have done only powder XRD and FT-IR. I'm planning to get a single...
18 February 2024 2,932 4 View
We are currently in the process of developing a model to predict the energy consumption of a building using machine learning
10 February 2024 7,928 4 View
Dear all, I'm trying to carry out metadynamics for a cyclic dimer system using Cp2k . I want to use center of mass to center of mass distance as my collective variable. Can anyone suggest me how...
01 February 2024 6,425 0 View
I'm doing Buchwald Hartwig amination and as a catalyst can I use palladium chloride instead of palladium acetate? What can be the possible issues that can come up for this change?
17 January 2024 2,074 4 View
I'm not able to solve a problem in fullprof software. When I'm running the program, its showing "program interrupted". Can anyone help me to solve the problem please?
11 January 2024 6,182 5 View
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
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
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
what are the main points
10 July 2024 9,236 5 View
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
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
