Why all lines are doublets in Lyman series?
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Can you please help me to index an XRD pattern of a given tetragonal crystal? Peak positions and intensity values are given. How can we find hkl values?
06 July 2013 4,888 15 View
Cyclic Voltammetry
06 July 2013 2,736 4 View
Can anyone please tell me the stability of a tertiary group at the equatorial position in cis-1-tertiary-4-methylcyclohexane? Why it is not occupying the axial position?
31 December 2012 8,990 7 View
Nucleophilic Substitution reaction
10 November 2012 8,057 6 View
We can measure the acidity of compounds by its Ka value. Then, what is the necessity of finding pKa value? Why there is a term called pKa?
09 October 2012 316 3 View
Can we use mass spectroscopy for the characterization of polymers?
08 September 2012 3,747 2 View
The flow of information is always from mRNA to proteins during translation.formation does not flow in the other direction.This is a molecular version of the incorrectness of inheritance of...
08 September 2012 8,925 1 View
Why do only certain nuclei show magnetic resonance?
08 September 2012 8,439 6 View
Can anyone please explain its action?
05 June 2012 6,929 3 View
How muon neutrons are changed into Tau neutrons?
03 April 2012 6,626 7 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