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12:06 AM
Is S2Cl2 chiral?
 
Jan
No.
The rotation barrier should be irrelevant at room temperature.
Just like in H2O2.
 
However, its smell might cause some optical rotation.
4
 
 
8 hours later…
8:09 AM
I wonder how many isomers SF3Cl3 has.
I reckon there are 2.
 
 
1 hour later…
9:32 AM
Ugh. I'd really like to go back in time 5 years and tell my undergraduate self to study all that org chem stuff, because doing it all during 3 weeks in preparation for the final exam is super exhausting.
But, knowing myself, I would probably not have listened anyway.
 
10:27 AM
@Loong hi
 
hi
 
I wonder if spiro hydrocarbons can generate chiralty.
 
Why not?
 
never mind
what are you researching lately?
 
 
2 hours later…
12:14 PM
@Loong More likely to cause bowel rotation.
 
12:30 PM
@Mart What threshold did I just pass that now I'm seeing notifications for flagged chat messages?
 
@hBy2Py which message?
 
@Mart, @penta, are you, or do you know of anyone who is, intimately familiar with the innards of the Gaussian CUBE file format?
@DHMO Not sure, by the time I clicked the notification, it'd been dealt with by others.
 
I see
 
@hBy2Py 10000 total reputation on all sites
 
12:32 PM
@hBy2Py congratulations lol
 
@hBy2Py it's annoying isn't it ;)
 
But I've been over that for a while, and only just recently (past two days?) have seen them.
Are there not usually that many, but they've just upticked lately?
 
I have no idea about cube files. I don't use them... because probably I don't know how ;)
plus they are binary... I don't ;like binary
 
@Martin-マーチン Oh, are some of them binary? All of the ones I've seen are plaintext.
 
I have been a 10k for some time now... i don't remember confirming or dismissing any of the flags
 
12:34 PM
And I think I know the format pretty well now; I'm looking for someone to check my work.
@Martin-マーチン Must just be a rash of flags lately. Yey.
 
@hBy2Py see how much i don't know O.o
@hBy2Py yes, you see all flags from all chats
 
<shrug> if you've never peeked inside them, no reason for you to know.
 
@hBy2Py i'm sorry, I'm really not the guy you're looking for
 
penta works down the hall from Geoff Hutchinson, though, so he may be able to link me up with someone able (and hopefully willing) to proof my writeup.
Oh, no worries, I mainly only pinged you because you were already right here.
on the off chance you did know.
 
wow that's new to me...
:D
sure no problems
gotta go now though... i'm hungry and it's getting late
 
12:43 PM
Can one make ester from alcohol in one step?
 
12:59 PM
1
Q: Decomposition of CaCO3 in a sealed vessel

donkeyFor the equilibrium $$\ce{CaCO3(s) <=> CaO(s) + CO2(g)}$$ $\Delta H^\ominus = 178\ \mathrm{kJ\ mol^{-1}}$ and $\Delta S^\ominus = 160\ \mathrm{J\ mol^{-1}}$. I'm asked to suppose that $1\ \mathrm{mol}$ of $\ce{CaCO3}$ and $1\ \mathrm{mol}$ of $\ce{CO2}$ are heated reversibly in a closed vessel...

 
1:29 PM
@Hippalectryon <3
 
 
2 hours later…
3:52 PM
@hBy2Py no and no
though you need to update a link: gaussian.com/cubegen
 
So why the hell did they think it's a good idea to put up a website that isn't ready? Why not leave the old one until the new one is finished?
 
dunno, not my problem :D
though there's a tarball of the g09 man pages you can download
 
yeah I just used cached sites for the last days
 
But how often do you actually have to look at them?
 
from time to time. Tried some things I've haven done before in the last days so I wasn't sure about the keywords.
 
4:26 PM
Can anyone here check my answer? Thanks.
@pentavalentcarbon
 
I don't know organic chemistry so no
 
ok thanks
 
5:04 PM
@pentavalentcarbon <nod>, I ran into that this weekend; forgot to include in the latest commit.
 
@hBy2Py could you help me?
 
@pentavalentcarbon I may just have to hope that I've gotten it laid out correctly -- I wonder if there's even anyone left at Gaussian who knows the format very well.
@DHMO I don't know organic either, sorry. :-/
 
alright
 
@DHMO I would ping ortho or Jan
 
they aren't here
 
5:07 PM
Oh, you're seeking right-now help, gotcha.
Chem.SE is bad for right-now help.
(Unless it's something you can raise a mod flag about.)
 
@Jan @orthocresol When you come back, can you help me check my answer? Thanks.
@hBy2Py did you design your avatar?
 
<nod>, composed it in Powerpoint. The snake is a public domain image.
I would've used the actual Python python, but I didn't want to imply any actual endorsement of me by them.
 
I see, nice
 
@hBy2Py Why wouldn't you have, there's all that documentation
 
@pentavalentcarbon Differences in "regular" versus "molecular orbital" content.
Numerous well-established third-party applications, each with their own potentially divergent interpretations of the format.
Gaussian's writeup is far from rigorous or complete.
I'm trying to actually nail it down.
Most of the documentation is for the input to the cubegen utility
 
5:25 PM
@hBy2Py I am looking at something that tells me you'll probably be fine
 
@pentavalentcarbon ..?
 
also you can probably look at the Molden cube reader if you need to
 
<nod>, probably the best I can do is make sure that it's consistent with several common tools.
 
6:01 PM
@pentavalentcarbon Do you know offhand which *.f file in the MOLDEN source has that reader?
 
no, sorry, gonna have to grep -i the whole thing
grep -iR "cube" .
 
<nod>, figured that out in the interim
Looks like rdgaus.f
 
why are the bases made by group 1 elements of periodic table soluble in water?
 
6:16 PM
@Hippalectryon Huh, who am I replying to?
O.o Hipp?
 
unrelated to anything: the dotted lines that appear around your own "conversations" are very irritating
 
@pentavalentcarbon You mean when you hover over the chat message?
 
No, I'll take a screenshot for your, one moment...
 
Oh, those are supposedly separating conversations
But I never understood their purpose
 
I know, and it doesn't work well; I could probably modify the SOUP script to disable it
 
6:27 PM
Food for thought
Could we get paragraph indentation ''enabled'' as a feature request?
 
@pentavalentcarbon I thought those were inserted every time the chat thinks you "looked away", to show what's new since you last looked.
 
@hBy2Py Hey, that makes sense, but that's not the case
 
@hBy2Py Then it's not working properly, since I remember clearly it appearing multiple times in the middle of my chatting with people in Language Overflow
 
Hehe, very possible. Did you have the chat tab active the whole time?
 
6:37 PM
@hBy2Py Do I have to be nice?
 
It's definitely got a hair trigger
@M.A.R. No, but I know @ortho is just looking for any excuse to ....
 
@hBy2Py Yeah, I could NOT possibly look away when a hot conversation is running
@hBy2Py To try and suspend me?
 
whistles
saunters off, hands in pockets
 
Well, he/it'll be disappointed
 
 
4 hours later…
Jan
10:58 PM
@DHMO Upvoted ;)
 
11:28 PM
@Jan thanks!
 

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