« first day (1443 days earlier)      last day (2949 days later) » 

1:21 AM
is consciousness a thermodynamic or kinetically controlled chemical reaction?
 
 
2 hours later…
user116211
2:52 AM
!!coffee
 
user116211
Thanks!
 
user116211
!!img/[18]annulene
 
!!coffee
 
user116211
3:07 AM
!!greet/@Dissenter
 
5:01 AM
@Dissenter hello
I've always seen you but have never had the chance to talk with you
and it seems I may not get the chance yet
 
5:33 AM
!!greet/@ringo
!!greet/Chemobot
 
 
2 hours later…
8:05 AM
@Dissenter both.
!!!help
 
Hi! I'm the (for now) unofficial bot of ChemistrySE's main chatroom. __If you find me annoying, you can ignore me by clicking on my profile image and chosing "ignore this user"__
Here are the useful commands I provide : (don't add the brackets)
* img/[molecule's name] -> I will try and upload an image corresponding to your molecule. You can give its name, formula, SMILES, or any common identifier. When using complex InChI, use img/InChI=1/[molecule's InChI]
* help -> displays this message
* wiki/[article] -> returns a link to wikiedia's page n <article> if I can find it
 
@Hippalectryon Thanks for !!!sushi :D
 
Maybe you'd update the help thingy with the next version, i mean including the !!! syntax... @Hippalectryon
 
9:02 AM
!!sushi
The sushi lacks creativity.
 
9:15 AM
Well, I guess... Next time I'll take a few pictures for the bot... !!!table
 
(ノ^_^)ノ┻━┻ ┬─┬ ノ( ^_^ノ)
 
lol
untabled table...
 
!!!gun
 
(メ▼▼)┏)゚o゚)
 
 
1 hour later…
10:19 AM
 
11:16 AM
Can someone help me???????
 
@notorious probably
 
Determine the value of the rate constant for the reaction Br2 + H2 = 2HBr if [Br2] = 0.15 M, [H2] = 0.2 and the rate of the reaction is 0.005 M s^-1 at 298 K
 
@notorious what is it that you don't understand about that?
 
How do you know rate order??
1st order? 2nd order? 3rd order? idk
 
@notorious a) one ? is enough b) what is the difference between 1st, 2nd, 3rd order?
 
11:21 AM
like R = k[Br2] or k [H2]
R = k[Br2][H2]
R = k[Br^2][H2]
Actually I meant R = k[Br2]^2[H2]
 
I don't want to know the different equations for it ... I want to know the difference between those reaction types. What does a reaction need to be classified as 1st, 2nd, or 3rd order? What are the differences?
 
i hate kinetics...
 
:)
 
1 means only one molecule hits
2 means two molecules hit each other
3 means three molecules hit each other
 
now ... based on that, what order is the one to choose for Br2 + H2?
 
11:26 AM
you can't do that
 
I can't do what?
 
because you don't know if br2 + h2 is an elementary step
say its 2
you can't just say it's two
because you don't know if Br2 + H2 is an elementary step
 
@notorious Actually Br2 + H2 -> 2HBr has a very complex rate law since it does not occur in a single step. Are you expected to know that?
 
idk it was not mentioned in the problem
 
i think we might have a question on the mechnism
not realy, but related:
2
Q: How is the Rate Law of a reaction measured?

Maggi IggamWhat is Rate Law of the reaction below?$$\ce{4 HBr + O2 -> 2 H2O + 2 Br2}$$ How do we approach finding the rate law of reaction? Can this be found out only through experiments?

 
11:34 AM
im so confused
 
The actual elementary reactions are approximately
Br2 -> 2Br
Br + H2 -> HBr + H
H + Br2 -> HBr + Br
H + HBr -> H2 + Br
Br + Br -> Br2
 
i think it's a radical
 
However, since you only have one data point, you can only calculate one k (not five constants).
@notorious yes, it is.
 
how can you calculate the 1 K if I don't know the rate law?
 
this exercise did not came out of nothing ... there must have been similar exercises or sth during your lectures that prepared you for this. if not, then google yields tons of information on that problem.
 
11:41 AM
@notorious you cannot. You have to assume a rate law.
@pH13 I guess, the problem is oversimplified.
 
yeah just checked and everyone in my class is saying not enough info, bad problem
 
calculating rate laws are always flawed exercises
 
@Loong that was my assumption too, that's why I did not try to think complicated and was telling to choose from 1st, 2nd or 3rd order, no?
 
because nobody really pays attention to the reaction mechanism
@notorious look at the reactions that Loong gave... what do they have in common?
 
11:43 AM
maybe I got it wrong, happens from time to time
 
so basically, k[H2][Br2]^(1/2). I think I'll just go with that
 
? why not I saw that in multiple sources that R = k[H2][Br2]^(1/2)
 
@pH13 yes. Perhaps this simplified problem wants to use the total equation (not the actual individual elementary equations).
 
anyway thanks
 
11:46 AM
well... the solution in the link you gave is sound
somewhat
 
I don't really care. I can guarantee it's a mistake by my teacher
 
54 messages moved from g-block elements
 
12:13 PM
source^ of the arrows
:-)
← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ← ←
 
 
1 hour later…
1:54 PM
500 :O
 
 
2 hours later…
3:30 PM
How to set a chat room as 'favorite' ?
 
@Ramanewbie click the star in the top right corner.
 
@Loong Thanks
 
3:47 PM
!!table
1 message moved from g-block elements
 
@Hippalectryon plz let the g-block be another favorite room for chemobot
 
4:46 PM
hello
 
2 days ago, by Loong
@ramsay each sodium atom has 8 nearest neighbours; however, that does not necessarily indicate the chemical bonds.
 
@user223679 o/
 
@Loong what does that mean?
 
how are you @Mithoron
 
been better
 
4:52 PM
where is MAR? its been a long time. though i see familiar people here
 
Maybe busy, dunno
 
@user223679 MAR is @IͶΔ
 
Oh hello @IͶΔ. he was the most active one here.
 
seems he was on g-block mostly today
 
5:00 PM
@Mithoron only a few minutes
 
@ramsay that happens when you move messages to another chat room.
 
5:21 PM
@user223679 \o
He still is the most active one here. That B#$%^
@ramsay Which part is unclear?
Waving at @Mith
 
o/ @Brian #DataOnTheBridge
 
#IResembleThatRemark
No real movement on Meta as re the 'homework VTC' &c.
As @IͶΔ and others have noted, seems like our meta-problem is that little of the community is very interested in engaging on Meta.
 
thank you for your answer on my question today ... I liked the double "it depends" ;)
 
<nod>, no prob!
(I hope it wasn't grotesquely wrong...)
I feel like most of my answers end up having a big, bold "It depends" up front.
 
:D
but it's sad that most reference papers are either on organic molecules or on 3d metal chemistry. that does not cover what we do x)
 
5:38 PM
@pH13 But everything else is so hard!!
 
 
It's really the relativistic effects that foul everything up.
Once you get past copper or so, you just about can't avoid dealing with them.
ECPs are great to a point, but AFAIK they munge up a lot of methods
scalar relativistics like DKH and ZORA/IORA are okay for energies and geometries, but I think fail in weird ways for the subtler things like SOC, ZFS, etc.
 
zfs?
 
and all-electron computation gets really unwieldy
 
zero field splitting?
 
5:41 PM
zero-field splitting, yeah.
 
@Brian Not very unusual.
 
sure ... I think it's just too early for those big systems that we want to look at.
 
In fact, for this stage, we have abnormally high meta activity.
 
@IͶΔ Huh, really?
 
as the future brings faster cpu, everything will be feasible
 
5:43 PM
There's usually one or two users that care enough to want to do something.
Like how I'm stuck on ELL.
 
(H)ELL
 
Is it because we're past the newly-graduated phase, but don't have a critical mass of membership to result in the small fraction of engaged members being more than a handful of people?
@pH13 <nod>
 
@pH13 No, not the acid.
 
Me and my dual quad-core xeon comp server are content to play with organics and 3d TMs
 
@Brian Ja
Partly.
When people don't dig a lot into stuff and think stuff can't be functioning better, they become meh.
And personally I think the main site does do what it does nicely.
 
5:45 PM
@IͶΔ So maybe we just need to rewrite the HW close-reason and leave it at that?
Something nice and simple, where all people have to do is vote up or down on a single proposal question?
 
@Brian Nope, this stuff is dynamic. Always active. There should be a bunch of users that do the meta work. Work never gets done.
 
@IͶΔ Mm, I mean, for right now.
 
You solve this problem, another appears.
 
Can still keep the gears turning among the handful of MegaMetaChems.
 
Well, poll isn't the solution yet since there's not much consensus on the details of what we're gonna do.
But it's a nice way of judging final decision.
 
5:47 PM
@Brian so 8 or 16 cores for you? you've got your own server? :o
 
@pH13 256 cores
 
@IͶΔ But if there's little meta engagement anyways, then we'll never reach consensus
 
Consensus is you and me.
 
@pH13 8-core, 2.1GHz each, I think. 16GB RAM.
 
AKA people who bother thinking about this,
so consensus is us.
If we're wrong, the community can correct us.
@Brian Whoa, are you on a Transformer?
 
5:49 PM
@Brian k, so not really a server ... or not like I image a server *g*
 
*h*
 
@IͶΔ Heh, I wish.
 
I wish whoa too.
 
@pH13 Heheheh. It's a single PowerEdge rack unit, tipped up against the wall in my bedroom. :-)
 
@Brian nice comp
 
5:51 PM
Ah, they're 2.5GHz-ers
 
@Brian hmmm ... then again, it is. but it also sounds like my pc over here
 
Not much more powerful than what you could get in a PC.
But, the price was **RIGHT**
 
@Brian :D it is, yes
 
The Visionman guys were on the ball, too. I would buy there again.
 
It also replaces the heater ;)
 
5:58 PM
Yeeah. Barely have to open the vent in winter, and have to sleep with the door open in summer.
It's thankfully not terribly loud.
Not at all quiet, either, though.
 
and when kids are out in a few years, their rooms will be turned into server rooms.
 
One server isn't dinging the electric bill too much. I may not be allowed to upgrade to a farm.
:-)
I think she'd draw the line at installing dedicated HVAC...
 
wives ... tststs
 
So, are you trying to compute lanthanides? Actinides?
 
no, we are working on ruthenium stuff. spectro electro chemistry, resonance raman, ...
not many people doing this :)
 
6:07 PM
Oxygen evolution? Or other catalysis?
 
hydrogen :)
oxygen is in the air
 
MOFs / POMs? Or more traditional oxides &c?
Aw, crap, it is? I'm gonna hafta go change that answer now...
 
wait, I will show you related stuff
@Brian that's some of the old stuff
 
Ah, homogeneous, then.
Mm... the new ligand holds the Pd better, but knocks it down the hill of the volcano plot.
 
no Pd for me, only Ru and only one core
stuff based on Ru(II)(bpy)2dppz
 
6:15 PM
>.<
That's an enormous system for only one core.
(Wait - did you mean one CPU core, or one chemical core?)
 
chemical :D
 
Ok, whew!
 
I' using 8-24 cores, depending on what I want and how long I can wait
 
Gah, that's hard.
 
also only dft ... our postdoc does caspt2 on those things ... takes months
 
6:17 PM
Oh, absolutely.
Are you able to exploit the tendency for the 4d's to be low-spin, at least?
Or do you have to deal with the spin transitions &c., due to charge transfer and whatnot?
So hard.
 
@Brian the systems that I had are mostly singlets. so low-spin, yes.
sry ... we've got internet problems here ... only stable for RandomReal[{0,10}] minutes ಠ_ಠ
 
Is okay, I'm working on some other stuff alongside.
At least with only a single metal and a ~normal organic ligand environment, I would think you weren't/aren't facing any antiferromagnetic behavior or anything.
Just a complex electronic system?
 
the latter, yes. but the heteroaromatic system seems to need multireference treatment ... I need to find out more about this. (T1 diagnostic and the new FOD analysis told sth like that)
I'll be back in about ~30-60 mins ... if you are still there, we can continue to talk about it
 
6:32 PM
Huh, wouldn't've expected that.
<nod>, I'll probably be gone, but I'll gladly pick back up whenever next we get the chance.
Thanks for sharing!
 
6:52 PM
 
7:17 PM
Noice.
We're getting semi-good answers from new users today.
I wish everyday was like this.
 
 
3 hours later…
10:22 PM
Hello @ringo
 
10:38 PM
@pentavalentcarbon Should I swap "!!!" and "!!" ?
 

« first day (1443 days earlier)      last day (2949 days later) »