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2:04 AM
Could possibly use some mod-level perspective on this one, @Mart:
1
Q: DFT Code for Atoms : Sources

R.M.Some time ago I implemented the restricted and unrestricted Hartree-Fock methods. I had a lot of fun and I learned a lot. It goes without saying that Szabo and Ostlund's book "Modern Quantum Chemistry" has been fundamental to achieve a working code. I would like to repeat the experience implemen...

See the comment thread.
 
 
2 hours later…
4:14 AM
(an avatar on a Russian chem forum)
I guess it refers to the increased explosiveness of NO2
CO2 is an acidic oxide
So is air acidic?
Oh. I has to be.
 
5:04 AM
@Brian there really is nothing we can do at the moment. Also I'm only on mobile since it is golden week. Have a good time, see y'all soon
 
5:39 AM
I'm reading this and wonder - does that mean that it will always be the d(x2-y2) and d(z2) orbitals that will obtain a higher energy in coordination compounds?
 
 
5 hours later…
11:02 AM
@CowperKettle There is no 'always'.
 
@CowperKettle I always take these x, y and z plane as man made. They just help us to understand. They don't have any physical significance.
 
They do have physical significance.
 
O_o
 
The arbitrary assignments have no meaning, but you can't do science without arbitrary assignments.
 
ahh.
It comes in the part of "They just help us to understand." :p
 
11:14 AM
We may as well call them apples and mangoes, but that wouldn't help science advance.
 
They are mainly the part of maths.
!!flip/science
 
( つ•̀ω•́)つsɔᴉǝuɔǝ
 
!!flip/!!flip
 
( つ•̀ω•́)つ¡¡ɟꞁᴉd
 
!!flip/@PhMgBr's !!flip
 
11:15 AM
(╯°ਊ°)╯︵@dɥɯƃqɹ⅋#Ɛ6؛s ¡¡ɟꞁᴉd
 
Still broken Unicode @Hipp. I'm gonna kill you.
 
@PhMgBr ohh..is he your 4th hostage
 
Y'all're my hostages, and @Mart is the cop.
 
plot twist - We have guns !!gun
 
・-/(。□。;/)—-┳┓y(-_・ )
 
11:19 AM
You wish
 
:(
 
'[
 
I hate weekends.
 
Weekends hate you too.
Wait, why?
Is it because you're left chatting with me?
 
@PhMgBr nope. It's bcz there is nothing to do on my side.
But wait...what do I do on other days O_o
 
11:23 AM
@manshu There's usually not much to do on the universe's side either, don't worry.
 
@PhMgBr It's because the universe has done everything it could do. But I haven't.
 
@manshu Sodium hydride, where is the heat death?
Universe is the biggest slacker there could be.
 
Atmosphere getting philosophical
To be, or not to be.
 
It's because I'm sleepy.
 
Me too
But still searching for a college. :p
 
11:26 AM
Good midday, gotta catch 1.618 naps.
 
and maybe a scholarship :p
@PhMgBr Good day !!
 
@CowperKettle it is always the case in octahedral complexes.
 
@Martin-マーチン From a technical perspective, then -- are the two codes he's looking to write sufficiently different to merit two different questions?
 
@CowperKettle the x, y, and z axes are conventions that are defined by man, but if you are a maths person it is what we would call "without loss of generality": it doesn't matter which way you define it, the result will always be the same. in tetrahedral/square planar/other geometry complexes, the splitting of the d orbitals will be different.
 
Exactly -- this energy splitting behavior is the behavior specifically for octahedral complexes. Many simple coordination compounds are octahedral, so it's a very useful paradigm to learn, but it's not the only one.
 
11:52 AM
@Brian I am not entirely sure. The codes he seem to look for are quite different I suppose, the literature will be the same if they exist. But I'm not sure. I guess it would be more straight forward to amend the first question and bounty it...
 
user116211
@hippa halp!
 
user116211
The url sci-hub.io is not working :(
 
user116211
I wanted to read scitation.aip.org/content/aapt/journal/ajp/46/4/10.1119/1.11328 and as usual they demanded specifications... then I tried the site you prescribed... it was working properly, but now it seems to be dead ;_;
 
user116211
@mart o/
 
user116211
USD 30 equals...
 
user116211
12:02 PM
approx. Rs. 2000, damn.
 
user116211
Any other link?
 
1:04 PM
@Martin-マーチン Would it make the first question too broad if he were to edit it to contain both requests, clearly delineated? I think it might... it would risk bifurcating any answer chain it got. (Though, with the lack of activity on the first question, it might be moot.)
 
1:33 PM
0
Q: Is there a minimum reputation to post a question?

BeerhunterMany of the homework, on hold, proposed to close, etc questions are from posters with a reputation of 1 or double digits. The situation appears to be that someone is either in a homework / coursework panic and just bangs a question on out of desperation or the question is ill defined. Either way...

 
2:00 PM
@Brian The way I read the questions, they are about a book that deals with implementing DFT. If such a resource actually exists, it is likely to cover both matters.
 
@Shadock Yes :) ...I took partial derivative of H with V as independent variable keeping T=constant.It came out zero
 
But then again I seriously doubt that there is a book that covers such fields and you have to work with the papers that cover the theory in the first place.
It might be worth while asking such a question at mathematics or at physics or at scientific computing. I'm not sure we are the best haven for this request in the first place.
 
What is your question?
 
2:41 PM
@orthocresol Thank you!
 
@MAFIA36790 http://sci-hub.bz/
 
user116211
@Hippalectryon \o/
 
user116211
Don't go!
 
user116211
@orthocresol: o/
 
@MAFIA36790 hey, give me your email add
@MAFIA36790 unless you got the paper already
 
user116211
2:51 PM
@orthocresol ...
 
@MAFIA36790 sent :)
@Feedsmeta.chemistry.se just when you thought you've seen it all..
 
user116211
@orthocresol gotcha!!
 
user116211
What a small paper!
 
user116211
@orthocresol !!ice cream from me as a treat ;)
 
2:59 PM
Yay :D
 
3:15 PM
Why Group VIII has 3 columns, I wonder.
 
@CowperKettle interesting question, could go on the main site imo
 
I'm currently reading up in this. Maybe I'll find the answer on the interwebz
(0:
 
@CowperKettle if you find the answer, all the more you should post it on the main site :D
 
(0:
0
Q: Why is there 3 columns in Group VIII of the Periodic Table?

CopperKettleI'm currently reading in-depth about the layout of the Periodic Table, and I wondered why does the table have 3 columns in its Group VIII: As I understand, this is an old notation of the table, now deprecated. But why was Group VIII a tripe-sized group? The answer might be trivial, but it's ...

Or should it be "why are there.."?
Grammar alert.
Jawohl!
 
user116211
3:32 PM
25
Q: Does "Jawohl" carry Nazi connotations?

TimWould answering "Jawohl" to an order or request be associated with Nazi Germany? What about "Jawohl, mein Kommandant"? Can it be used (jokingly) without people finding it tasteless?

 
@MAFIA36790 Nice explanation!
 
user116211
@PhMgBr: o//
 
\o
@MAFIA36790 BTW the term doesn't have good connotations so don't be surprised if someone doesn't like it and flags you.
 
user116211
@PhMgBr noted
 
user116211
@PhMgBr: removed
 
3:37 PM
!!flip/removed
 
◟(`ﮧ´ ◟ )ɹǝɯoʌǝp
 
Yeah...I have seen an answer getting deleted just because the answer was "Adolf Hitler"
 
Increasing the rep to post questions defeats the purpose of the site. This site is meant to help people in the end. Also, with this feature implemented you'd end up with poor souls who either post their questions as answers to others (NAA) or write wrong answers here and there in order to gain some rep to post their homework. This is like a self-slap from every aspect. — PhMgBr 5 mins ago
Big thanks to people who give big thanks to everyone participating in the review queues.PhMgBr 4 mins ago
My work on meta is done for today.
@manshu Maybe you didn't notice it and it was trolling.
 
user116211
@PhMgBr Just waiting for my rep bank get increased.....
 
user116211
I need hardly 15min to complete all reviews at Physics.....
 
user116211
3:48 PM
At the end of the day, I've spent all my CVs.....
 
Wait, can you gain reputation by going through review queue things?
 
@PhMgBr But...but he deleted it
 
@pentavalentcarbon Nope.
It's a thankless task.
 
Oh shucks. Maybe it's for the better, that would just be another thing to add to my list.
 
You either review like sheep everyday, or get suspended for robo-reviewing.
The review just ain't for the faint of heart.
 
user116211
3:51 PM
@pentavalentcarbon It's our duty indeed to keep our home clean, isn't it?
 
@pentavalentcarbon Reviewing was originally designed for people that devote themselves to the site, and aren't with a "big deal, it's just a site" attitude.
But then became robo-edits and robo-approvers.
 
Let's do the robo-dance
 
That's problematic.
Maybe the rep should be raised for the review queues.
 
user116211
@pentavalentcarbon no!
 
Why not?
Actually, I can't access most of them.
 
user116211
3:55 PM
!!gun @penta
 
( う-´)づ︻╦̵̵̿╤── \(˚☐˚”)/
 
user116211
@pentavalentcarbon Increase your rep.
 
Play nice.
@MAFIA36790 No.
 
user116211
@pentavalentcarbon :(
 
I can't answer most questions.
 
user116211
3:55 PM
@pentavalentcarbon That's true.
 
I have one or two I'm working on now, and they'll be very, very good, but they're for a targeted audience.
 
Hello @Awesome. I'm MAR. — PhMgBr 52 secs ago
 
user116211
!!flip/awesome
 
◟(`ﮧ´ ◟ )ɐʍǝsoɯǝ
 
user116211
@pentavalentcarbon I could understand....
 
3:58 PM
In the CO molecule, both carbon and oxygen have the valency = 3, right?
 
@MAFIA36790 Ok, I'm being presumptuous then. Here is a "general" statement I left about this a while back. meta.chemistry.stackexchange.com/questions/3091/…
I do occasionally scan my favorite tags for new things, so it isn't like I'm not looking.
 
user116211
@pentavalentcarbon hmm... that is life?
 
Oh wow...I have got the answers to every single question I have asked on this site. Should I consider myself lucky?
 
@manshu I would say yes.
 
@manshu Well, it's not like this is a rare phenomenon, just that people aren't obliged to answer you.
They're even less obliged to write good answers, so there.
 
4:08 PM
Or maybe my questions were too easy to answer.
 
And that's half of the reason I take forever. If you put thought into a question, you deserve a good answer.
@manshu Maybe, but it's more complicated than that.
Maybe they're hard, but the right people are here to answer them.
 
!!greet/@John
 
Welcome to The Periodic Table @John! Here are our chat guidelines and it's recommended that you read them. If you want to turn Mathjax on, follow the instructions in this answer. Happy chatting!
 
!!flip/unicorns
 
(╯°ਊ°)╯︵nuᴉɔoɹus
 
4:09 PM
voldemort will die now. :(
 
I still have a question that goes unanswered.
The one question that earned me a Tumbleweed.
 
Hmmm, I don't have a good answer for that one.
 
!!test
 
edited !
 
0
Q: Fire a safety matches with solid chemical

NidalIs it possible to fire a safety matchstick with any solid chemical kept 3-4 inches away? If possible please tell me the chemical or combination of chemicals Trying to self ignite the match stick, with the help of any chemicals which is brought close to the match stick, but non contact method Ju...

 
4:13 PM
My naive answer would have something to do about the pH of a hydrogen peroxide solution, assuming no protons have been "placed" in the equation.
 
"Just for illusion" Haha
 
It might also be a relative thing, which you point out; the 2nd reaction is by definition more basic, because of the lack of "bare" protons.
 
Reminds me of that "it's useless to say" we saw the other day.
 
Yes it does.
Sometimes understanding intent is very hard, here (and there) it's pretty clear.
 
@pentavalentcarbon Huh?
 
4:15 PM
I was talking to @manshu.
About his unanswered question: chemistry.stackexchange.com/questions/40869/…
 
@pentavalentcarbon It's answered in the comments
 
@manshu I think if you consider one of those an acceptable answer, you should self-answer it.
(with some addition polish or fleshing-out of the explanation)
 
user116211
Even my questions are all answered (?) .... that means they can be easily answered
 
before answering that, I'll have to revise that topic.
 
user116211
Answering a question depends on the popularity and narrowness of the topic....
 
user116211
4:19 PM
And also, questions that can be easily solved by little surfing wouldn't be answered.
 
my questions are always pretty narrow. My question have never been closed by "Unclear what you are asking"
 
user116211
So, there is nothing wrong that questions remain unanswered.
 
user116211
@manshu narrow means topic which are known to few.
 
6:19 PM
I posted my first homework question. (0:
 
a caterpillar emoticon? (0:
:ожожож
 
Ah no
That'd be
. .╚⊙ ⊙╝..
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6:34 PM
ah...now I know why is it called caterpillar
 
6:49 PM
caterpillar etymology
> literally "shaggy cat"
Why does NaOH react with H2S?
Is it because basically OH- groups react with H+ ions?
ANd the Na and S have nothing left to do but to bond?
 
NaOH is a strong base.
 
nods
 
So it needs H+ ions immediately
 
Not NaOH as a whole, but it's OH(-) ion probably
Na probably does not care about H+ ions.
 
Yeah.
Product will be I guess H2O and NaHS
 
6:55 PM
Or Na2S, if we have an overabundance of NaOH
 
yeah...most prob. Na2S
 
ha, the solutions book is so full of typos
H38 instead of H2S
 
must be a new writer.
 
nods
 
7:17 PM
@CowperKettle What book ?
 
7:34 PM
@CowperKettle NaOH dissociates completely in water, but H2S does not.
@CowperKettle H38?!
@Hippalectryon This looks very, VERY ugly on the star board.
Poor caterpillar. :(
 
@PhMgBr remove it
 
Sorry to the guy that starred that
 
I wonder if this explanation is correct.
I have forgotten all about aluminates and why they form.
And it's strange that the aluminate is shown not as Na[Al(OH)4] there
After all, there's water solution
The standard formula in Russian texbooks is 2Al + 2NaOH + 6Н2О = 2Na[Al(OH)4] + ЗН2
 
@CowperKettle Na doesn't covalently bond to oxygen.
Neither does aluminium.
 
@PhMgBr So it's a crap explanation?
So I guessed
 
7:46 PM
@CowperKettle Ugh could you stop that? I prefer ->, <=> etc. much more to =.
This isn't math.
 
okay
 
@CowperKettle It's not what I call an explanation.
There are a million ways you could explain why this reaction happens.
You could as well add some kindergarten tune and say "Mr. Na loves Ms. O"
But it's not a scientific explanation.
I could also define an arbitrary variable and call it "affection".
It still isn't an explanation.
 
7
Q: The son of Mrs. 11 and Mr. 17

manshu I am an important person for my kinds, Do you remember when you walked 1267200 feet with me so that you could defiance, I used to save things a lot but you don't use me anymore because you have got a cool guy, My mom is Mrs 11 and dad is Mr 17 but their relationship is weak and if it's b...

 
I just want to understand the reaction in which Al and NaOH create this Na[Al(OH)4]
 
@CowperKettle Complexes! (/¯◡ ‿ ◡)/¯ ~ ┻━┻
 
7:49 PM
@PhMgBr this?
 
Ja
 
But our Al is not an ion
 
Then what is it?
 
@CowperKettle Inorganic reactions cannot be understood.
 
An atom in the ground state
 
7:55 PM
@manshu Hush
 
@manshu Good joke. (0:
 
@CowperKettle Nope. The charge doesn't even balance.
 
In order to form a complex ion, Al should have a plus charge, right?
 
Imagine it like this: Al 3+ + 3OH- + another hydroxide that forms a complex + Na+
@CowperKettle Usually ions are seen in complexes, but it's not a requirement. Naturally, there should be empty orbitals to fit electrons in.
That's why it mostly happens to ions.
 
Where do we get Al (3+)? Who robbed aluminium of its 3 electrons?
 
7:59 PM
@CowperKettle Nature.
Who robs electrons in Al(OH)3?
 
@PhMgBr lol
 
But initially, we have only Al. Why should it connect to OH(-), if aluminum's charge is zero?
 
@CowperKettle So are we now talking about why Al(OH)3 forms?
 
It's because ionic lattices are thermodynamically very stable.
Na and Cl form NaCl, because then the anions and cations are both happy together.
 
8:01 PM
> You could as well add some kindergarten tune and say "Mr. Na loves Ms. O"
 
Of course, for this we need to persuade Na, or Al, to break bonds with their friends.
Al foil is also stable.
 
So aluminum sees that OH(-) floating about, and cries "yay!", sheds 3 electrons into the water, and connects to OH(-)?
Where do the 3 electrons go?
 
@CowperKettle No, it's OH, and then becomes OH-.
 
> But electronegativity increases as you go across the period - and the electronegativity difference between aluminium and oxygen is smaller. That allows the formation of covalent bonds between the two.
 
@CowperKettle Al2Cl6 is a covalent dimer.
In gas phase.
In solid phase, it's AlCl3, and ionic.
@CowperKettle There is a certain covalent character in the bond, but it's considered ionic, usually.
 
8:06 PM
nods, feighning understanding
 
This distinction isn't useful anyway to such extent @Cowp.
 
I think I'll go to sleep and try to understand the formation of aluminates tomorrow
Maybe they will appear in my dream
Like Mendeleyev's Table
Goodnight!
 
Nature doesn't know covalent or ionic bonds; it just knows bonds. The bond between Na and Cl isn't alien to the bond between two hydrogen atoms. It's just that sometimes there's an almost equal cloud density on both atoms and we call it covalent (one end of the spectrum) or it's more could density on one and less on the other, leading to partial charges of close to that of a number of electrons, so we call the bond ionic. (The other end of the spectrum)
 
I read on Chem SE in one highly voted post that Nature does not know bonds either.
 
Any bond lies in between @Cowp, and we know where it lies, but if we want to call it ionic or covalent, especially if it's almost in the middle, we have to start drawing arbitrary boundaries.
And that's where inaccuracies and difference in consensus rises.
 
8:09 PM
nods
 
So Al2O3 is closer to the ionic end, but it does have some covalent nature.
They aren't mutually exclusive.
 
> Aluminium oxide has also got an acidic side to its nature, and it shows this by reacting with bases such as sodium hydroxide solution.
Okay. Al2O3 has no protons to donate.
So its acidity is expressed in the ability to grab an electron pair
Probably
Al2O3 + NaOH ->> NaAlO2 + H2O
Al2O3 + NaOH + H2O >>> Na[Al(OH)4]
There are two reaction schemes online
I don't understand either
I'll try to read up and then formulate a question for the main site
Good night!
 
@CowperKettle Al2O3 is amphoteric. That means it both reacts with acids and bases.
@CowperKettle Exactly! This is called Lewis acidity.
@CowperKettle \o
 
 
3 hours later…
10:59 PM
Jeez, they make it really REALLY hard for me not to make a racist remark
18
Q: A number of duplicates posted in the last hour by different users

Michael MrozekEither someone is creating a bunch of accounts and asking very similar questions, or a bunch of people from the same math class all decided to use SO to do their homework. A search for mcnuggets is a good example; can a moderator check to make sure this isn't the same person over and over again? ...

And just recently
40
Q: Voting rings - how to handle organized groups upvoting each other?

ShomzI'm referencing what these three users are doing: http://stackoverflow.com/questions/36954611/java-line-spaces-concept-related-to-comma-separated-string See their profiles, they're answering each other's questions and giving upvotes. I've flagged this for moderator attention (we'll see what ha...

@Mart the mod, it's unlikely that they'll hit Chem, but just informing you in case we need to be alerted.
 

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