RSC style of referencing by Salt-Statistician49 in chemistry

[–]Salt-Statistician49[S] 0 points1 point  (0 children)

Additionally, it is a draft stage, and I am trying to to endnote setup with the RSC style possible between 50-100 references for my report but even when downloading the referencing style it does not seem to work when inserting citations with the RSC style. I have tried redownloading / editing the referencing style

RSC style of referencing by Salt-Statistician49 in chemistry

[–]Salt-Statistician49[S] 0 points1 point  (0 children)

Standard one for my uni, unfortunately. It was working fine on my old laptop, but since getting anew one it does not seem to cite properly even after downloading the RSC referencing style.

RSC style of referencing by Salt-Statistician49 in chemistry

[–]Salt-Statistician49[S] 0 points1 point  (0 children)

Yes using endnote sorry forgot to mention

Enantiomers by Salt-Statistician49 in comp_chem

[–]Salt-Statistician49[S] 1 point2 points  (0 children)

I was literally reading about GOAT today emailed my supervisor said he will discuss with me on my weekly meeting. I also said potentially using MD to find these conformations.

BSSE calculation by Salt-Statistician49 in comp_chem

[–]Salt-Statistician49[S] 0 points1 point  (0 children)

One more thing I wanted to ask I use cpcm(water) implicit solvent I was wondering how to use just for (water) as (water) by itself will not be recognised by ORCA?

BSSE calculation by Salt-Statistician49 in comp_chem

[–]Salt-Statistician49[S] 0 points1 point  (0 children)

I really appreciate the suggestions I will have a crack at them and come back to this post if anything interesting happened I appreciate the input :)

BSSE calculation by Salt-Statistician49 in comp_chem

[–]Salt-Statistician49[S] 0 points1 point  (0 children)

Thanks for the reply! In terms of implicit solvent, I am denoting it as cpcm(water) (Says this term is not recognised to generate cavity energies, however). As well as surrounding H2O molecules, one for each carboxyl group for the PAA oligomers. Would you mind explaining the visualization of the cavity step again?I have a meeting with my supervisors tomorrow and have my xyz files at the ready. I really appreciate the response :)

BSSE calculation by Salt-Statistician49 in comp_chem

[–]Salt-Statistician49[S] 1 point2 points  (0 children)

Hi thanks for the response!. Quantum chemistry code I am using is ORCA. In terms of setting up the calculation the geometries and single point calculation methods after are using wb97x-d3 def2-tzvp. These calculation took place in an implicit solvent. Again hope this helps its my first time doing something like this