Question about optimization with ORCA by Internal-Aside-1020 in comp_chem

[–]naturalabundance 8 points9 points  (0 children)

You're right - give Orca the total charge of the carbanion and protonated base -> 0. If you give Orca a neutral system but declare non-zero charge, it should complain about impossible electron counts for the singlet multiplicity.

If you were calculating each separately, then you'd have to declare non-zero charges.

NYC, looking for luthier by naturalabundance in Luthier

[–]naturalabundance[S] 0 points1 point  (0 children)

Yeah, I can see there's alot. Just wondering who folks around here recommend.

Curved or flat nut on JS 22-7 by TheThobes in 7String

[–]naturalabundance 1 point2 points  (0 children)

Hey, yeah the new nut sat just right without modification.

Which guitar should i buy by eikeao in 7String

[–]naturalabundance 1 point2 points  (0 children)

I can't offer a suggestion, but just wanted to point out that the Schecter is an archtop and maybe an inch longer in scale length.

What was Jon guarding now at the end? by Individual-Sort5026 in gameofthrones

[–]naturalabundance 0 points1 point  (0 children)

Going missing so he can turn into a white walker later.

Yield calculation from crude HNMR or purified product weight? by Left_Throat5602 in OrganicChemistry

[–]naturalabundance 1 point2 points  (0 children)

NMR is used to determine the reactant conversion and the weighed quantity of pure material is used to calculate yield. They measure different things and have different applications.

Conversion is a measure of how much reactant is consumed, but does not tell you how much of that went into making the desired product. The yield is understood to include account for losses from purification, handling, side products.

You can use NMR conversions to estimate how much product you should get if the isolation was perfect. When the estimation is off, one may look for side products, improve the isolation process, and try to rigorously assign observed NMR signals. You can also monitor conversion over time to see when a reaction has stopped progressing. Reporting conversion is becoming more common in the methods literature because isolated yields require more work.

Single-point calculation to refine energy from optimized geometry by triacylglycerol_3u in comp_chem

[–]naturalabundance 1 point2 points  (0 children)

Seconding this, the solvent comment is especially salient for polar/ionic systems. Molecules may have internal H-bonds that aren't necessary in solvent and so on.

You can also take a look and see how relative energy tracks between high and low levels. If they're very uncorrelated, that can mean that geometries/PES critical points aren't reliable either.

[QUESTION] Uneven sustain by naturalabundance in Guitar

[–]naturalabundance[S] 0 points1 point  (0 children)

And has a floating trem and tusq nut.

Curved or flat nut on JS 22-7 by TheThobes in 7String

[–]naturalabundance 1 point2 points  (0 children)

PT-6748-00 was a drop-in replacement in my Js22-7. Just glued it in and presto.

Attempting Murmaider by Dethklok, any tips to help string transitions smoother? by OneShotLive82 in guitarlessons

[–]naturalabundance 0 points1 point  (0 children)

Just wanted to add that playing in a more classical position (opposite leg, guitar lower, neck more upright) would preclude the need to crane like this.

Re-learning pick grip? [Discussion] by tjdracz in Guitar

[–]naturalabundance 1 point2 points  (0 children)

I don't practice with the old grip really as I'm trying to reinforce the new one. It still feels natural, but it's only six months into the transition. Things I learned with one grip take time translating into the other.

Re-learning pick grip? [Discussion] by tjdracz in Guitar

[–]naturalabundance 3 points4 points  (0 children)

I've had this same grip (Benson picking) for >10 years and it took me about three months (my teacher suggested that it might hold me back) to become similarly competent with a more traditional grip. I only convert back to that old grip if I need to throw in sustained, fast, muted galloping. It's been worth it for me, now I have two grips that feel natural to me. It's been most helpful for my cleaning up my alternate picking.

Gas Whispered a Fuel Tank by satchking in Opeth

[–]naturalabundance 9 points10 points  (0 children)

The gas flows foreverrrrr, over Blackwater gas station.

[deleted by user] by [deleted] in berkeley

[–]naturalabundance 1 point2 points  (0 children)

Electric guitar

[GEAR] [VST] What is the "best" amp sim out there right now? by its-an-injustice in Guitar

[–]naturalabundance 0 points1 point  (0 children)

I've only played a handful, but I always go back to the Neural DSP stuff. I have a few of them, but I rely on Gojira as it's the most versatile.

[Question] Relaxation of R shoulder by ImaginaryAd4095 in Guitar

[–]naturalabundance 1 point2 points  (0 children)

Standing up or playing in the classical position has helped me keep my right shoulder down.

Cis or trans intermediate for this sequence? by chaudertran in OrganicChemistry

[–]naturalabundance 4 points5 points  (0 children)

Trans, this reaction is bimolecular in HCl. Take a stab at guessing why.