How we can calculate 17O hyperfine coupling constant in gaussian?how we can write the input file?

How we can calculate 17O hyperfine coupling constant in gaussian? how we can write the input file?

31 December 2019 6,347 3 View

Shoul I have to specify pseudo=read keyword in the input file of optimization of inner transition metal complexes?

My compound is optimized without specifying it.Is it correct or wrong?

08 September 2019 9,994 4 View

Does the pressure(-600 mmHg) affects pH?

When I conducted the degassing experiment using decompression under anaerobic condition(and I used ferrous based chelating agent), the oxidized ferric were observerd. So, could you tell me the...

03 March 2021 4,892 5 View

Which database would give me this list of chemical components?

Dear colleagues: I would like to know if anyone knows of a database that gives me the parameters pH, K, K, Mg, P, C, N, Zn, Cu, Ni and Cd of common foods. I find a lot of information of proteins,...

26 February 2021 5,525 3 View

Why is NH4OH added in heavy metals limit test?

The limit test I'm referring to is USP method II. In this procedure you need to dropwise add 6N of NH4OH to the sample until it the pH is alkali. After that you need to dilute and add HOAc until...

23 February 2021 2,049 3 View

Is there an ideal incubation time of RGO-modified SPCE before subsequent use, i.e., electrochemical characterization or further modification?

I notice that upon washing and air-drying of my RGO/SPCE surface and characterizing again via DPV, the current response towards ferricyanide probe significantly decreases. My worry is that the...

22 February 2021 5,324 3 View

No title

22 February 2021 9,932 11 View

Can anyone help or comment on solubilising chlorobutanol in aqueous injections in minimum time possible?

Please suggest solubilisation of chlorobutanol in injections. Tried pH and high temperature. But the issue is of assay drop. If anyone can suggest any solution. Its a commonly used excipient for...

21 February 2021 7,397 1 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

What reaction will occur when adding hexamine into ammonium nitrate in an acidic medium?

Hello, I am investigating properties of water in oil emulsion explosives. And adding hexamine (hexamethylenetetramine) into one of the phases that are used to make the emulsion should increase the...

21 February 2021 8,680 1 View

What properties of water shall be analyzed and evaluated to test the effectiveness of activated carbon?

I would like to ask what other properties of water (pH and such) shall be analyzed and evaluated to test the effectiveness of activated carbon from filtering the contaminants present in the water?

20 February 2021 9,422 8 View

Phenol-pH graphic?

We want to use phenol pH graphic to measure the pH of mediums before and after inhibitor application to cells. We have phenol absorbence values at 460, 560 and 720 nm wavelength. When we measure...

20 February 2021 7,700 3 View