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Jan
Jan
00:43
Any native English speakers in here like right now? Not by the looks of things *glances at the list of users currently in the room*
Well, I’ll ask anyway. Is there a (reasonably common) verb I can use meaning to perform the practical work of one’s PhD thesis that I can use to put in the following blank:
> I have ____ my Ph.D. in the laboratory of Professor M. Hatter.
I can’t use completed because I’m lacking my defence as of I-don’t-yet-know-when-exactly …
 
1 hour later…
satyatech
satyatech
01:52
Done
skill patrol
skill patrol
02:08
completed the practicum of
wordnik.com/words/practicum
Jan
Jan
Hm, from the meanings given there, that sounds more like a lab course, i.e. being instructed to do X, Y, Z.
skill patrol
skill patrol
02:23
Then just say "I have performed the practical work of my Ph.D...."
or "practical portion of my Ph.D..."
gannex
gannex
03:22
OK this guy is definitely trolling us
0
Q: Flavour Enhancer 635 and Vegetarian

Rian WebsterI probably haven't posted this on the right site but anyway.. The flavour enhancer 635 is a combination of 627 and 631 is in Fantastic Noodles (Chicken). If I am correct, the flavour enhancer 627 is isolated from sardines and/or yeast extract and 631 can be prepared from meat extract and/or dri...

food-chemistry
satyatech
satyatech
04:04
user image
Which product is major
Ortho or para
@Jan see the abv qn
Martin - マーチン
Martin - マーチン
Want to promote Chemistry.se? Only a few clicks will do: academia.se, biology.se, physics.se
6
satyatech
satyatech
@gannex plz see the abv qn
airhuff
airhuff
04:34
@Jan, I like ski-patrol's answer. I don't know about "I am approaching the completion of my Ph.D. research program in the laboratory of Professor M. Hatter."? I also don't know if that quite fits your situation. I've also never used this chat room before, so I'm not sure how long ago you wrote that, etc. ;)
Ah, I just found the times!
@gannex,I think I get the "trolling" analogy, but I'm not sure. Does that just mean somebody drops a question on SE and hope someone else figures out where they really ought to put it? So, did I play into it when I suggested a different specific site on SE?
 
1 hour later…
satyatech
satyatech
05:42
@Jan are u there
 
2 hours later…
satyatech
satyatech
08:12
@airhuff can you answer my qn
Martin - マーチン
Martin - マーチン
08:47
I wish people would be more careful when approving edits
skill patrol
skill patrol
09:31
0
A: Word for the practical portion of my Ph.D?

verboseYou can say: I have conducted my doctoral research in the laboratory of Professor M. Hatter. If the surrounding context makes it clear that you are discussing your Ph.D., you can leave out doctoral. A quick web search for "conducting doctoral research" turns up several examples: Co...

Martin - マーチン
Martin - マーチン
@skillpatrol "I have been enslaved in the laboratory of Prof. Smith."
2
skill patrol
skill patrol
@Martin-マーチン For all intents and purposes yes.
Martin - マーチン
Martin - マーチン
=D
skill patrol
skill patrol
:-)
Martin - マーチン
Martin - マーチン
But I like the conducted doctoral research answer. Yet not enough to make an account there O.o
skill patrol
skill patrol
09:37
:-/
Martin - マーチン
Martin - マーチン
The practicum has the bitter after taste of being supervised, which in general the practical work of a PhD should only be to a minor degree.
After all you should prove that you can work scientifically without supervision after the PhD...
skill patrol
skill patrol
Indeed.
Hence being freed from enslavement.
Martin - マーチン
Martin - マーチン
09:52
well... there is a different enslavement waiting...
skill patrol
skill patrol
always
DHMO
DHMO
10:27
@Jan thanks
 
3 hours later…
satyatech
satyatech
13:01
@Jan where are u
Koolman
Koolman
13:15
Can anybody help ,how they have given the answer as B ,C and D
user image
Martin - マーチン
Martin - マーチン
13:58
Answer the unanswered, LaTeX style: tex.stackexchange.com/q/159255/33413 I'm so happy this is resolved now :D
 
2 hours later…
Jan
Jan
16:15
@skillpatrol Nice, thanks :D
@satyatech I left the PC on overnight and this morning while I visited my (ex) group’s synthesis seminar. Please note that users on Chem.SE have private lives outside of Chem.SE.
satyatech
satyatech
@Jan that was little funny everybody has private lives
@Jan So wie Sie jetzt aktiv sind, können Sie erwägen, meine Frage zu beantworten.
hBy2Py
hBy2Py
@Mar @M.A.R. @Jan @ortho New twist on the little orange box:
0
A: Total posts awaiting review

hBy2PyThis behavior may have changed in the interim, but as of 2 Feb 2017, the orange-boxed number in the header bar indicates the number of suggested edits awaiting review, not the total number of posts pending review of any kind, at least for me as a user with ~8k rep: If the tooltip for this indi...

Jan 13 at 18:05, by hBy2Py
The curl, $\nabla\times\Theta$, gives a measure of the rotational character of the field. This is only defined in three dimensions, since the cross-product is only defined in three dimensions.
Not sure if that provides much additional insight - curl's a weird monkey to grok.
Jan
Jan
16:30
@satyatech Active is a little streched. Let me continue my day in the way I prefer please; thanks.
satyatech
satyatech
@Jan which product is more stable Ortho or para in Friedel Kraft alkylation reaction I posted
@Martin-マーチン Kann ich Sie einige Zweifel in der organischen Chemie fragen?
Jan
Jan
As a side note: While the British (and American and most other flavours of) English usage of doubt does indeed translate to Zweifel in German, the Indian English usage of a doubt can only translate to Frage (and would, incidentally, only be question in British/American/etc. English).
satyatech
satyatech
Ich kann Sie nicht verstehen
@Jan Bedeutet es, dass ich benutze "Frage" stattdessen von "Zwifel"
@Jan Why u not answering my question!!
@Jan how much time I am waiting you know :
Jan
Jan
16:50
You should speak English in here; the g-block elements is where German is spoken, you are welcome to address me in German there. I was not answering your question because, again, I was doing other things. Please do not multi-ping me in such short timeframes if there is no real reason.
And yes, a correct way to phrase the above question would be:
> Kann ich Sie zu einigen Fragen aus der organischen Chemie befragen?
Better, however, would be:
> Kann ich Ihnen einige organisch-chemische Fragen stellen?
satyatech
satyatech
@Jan bro now you can answer na ,
@Martin-マーチン @orthocresol @Koolman which product is more stable Ortho or para in Friedel Kraft alkylation reaction I posted
hBy2Py
hBy2Py
@Mart @Loong @M.A.R. @ortho @Jan or anybody, is there a way to see a larger version of this chart, with a customizeable date range?
user image
Jan
Jan
@hBy2Py Not that I know of. There’s only the ‘daily graph’ in the reputation tab to the best of my knowledge.
Right. @satyatech What was your question, can you relink me please?
Loong
Loong
@hBy2Py does this help? stackexchange.com/users/5508974/brian?tab=reputation
satyatech
satyatech
17:06
user image
@Jan I relinked
Jan
Jan
@satyatech para has less steric interaction between the two methyl groups since they are far, far apart. Thus, it should be the more stable product by a very, very small margin (two ortho-methyl groups on benzene are not really steric hindrance).
By the way, if you hover over a post there’s a little grey reply-arrow at the bottom left. You can use that to reply to a specific post in the way I just did and Loong did earlier.
satyatech
satyatech
@Jan thanks
Loong
Loong
@Jan CRC Handbook has the same enthalpy of formation for both (−24.4 kJ/mol). If these values are correct, the difference is indeed not significant.
hBy2Py
hBy2Py
@Loong Yes!!! That's pretty much exactly what I'm looking for. Thanks!
gannex
gannex
17:44
@hBy2Py hey there. I've got a dumb question for you
(comp. chem. one)
or anybody else for that matter.
user image
what is the computational method that generates these sorts of pictures?
I have been "exploring potential energy surfaces", but I haven't really done much in-depth analysis of the orbitals
skill patrol
skill patrol
@Jan np
satyatech
satyatech
@Loong will benzene and CO2 react
@gannex will benzene and CO2 react
@hBy2Py will benzene and CO2 react
gannex
gannex
18:01
NO
those are two pretty inert molecules dude
the benzene needs to be functionalized
I thikn you're thinking of PhMgBr + CO2 -> PhCO2-, followed by PhCO2- + H+ -> PhCO2H
Jan
Jan
I feel it should be said now, @satyatech. Please do not mass ping in the way you just did or in the way you did earlier. Pings should be reserved to rarer cases.
hBy2Py
hBy2Py
@Jan To be fair, I just did it, so he probably copied me. Do I mass ping too frequently?
gannex
gannex
@Jan can I ping you about what kind of calculations those are?
hBy2Py
hBy2Py
@gannex There are multiple techniques required to make something like that
Jan
Jan
@gannex You could, but my answer would be ‘no idea’ xD
hBy2Py
hBy2Py
18:04
The curves look like just repeated versions of the same potential energy profile along some sort of internal reaction coordinate
satyatech
satyatech
@gannex I thought that because obviously benzene is aromatic and CO2 is also inert .But my friend said me to try again I don't know what will happen though ,is he missing something?
hBy2Py
hBy2Py
Just about any major computational package can generate that data.
You'd then need graphing software of some kind to make the curves
The molecule/orbital images were probably made with something like ChemCraft
The whole thing was then probably composited in, e.g., GIMP or PhotoShop
satyatech
satyatech
@Jan I understand what you said!!
Jan
Jan
@hBy2Py It didn’t strike me yet as too frequently so you’re probably good ;)
hBy2Py
hBy2Py
@Jan I think I usually mass ping more from a "hey, you might think this is interesting" angle, rather than "can you answer this question", which hopefully is less of a nuisance.
With the exception of questions about how the site works -- I shamelessly pester Mart, Loong and ortho about that stuff.
Jan
Jan
18:07
I was about to say something along those lines when I realised you had mass pinged a question only moments earlier xD
satyatech
satyatech
@Jan will CO2 and benzene react under hydrolysis ...
gannex
gannex
@hBy2Py oh OK. What is a good place to start on looking at the MO electron densities themselves? I've heard about NBO analysis being involved...
hBy2Py
hBy2Py
@Jan Yeah, apparently I'm setting a bad example. :-(
satyatech
satyatech
@gannex do you think that CO2 and benzene undergo hydrolysis reaction
hBy2Py
hBy2Py
@gannex Can you clarify what you mean? (e.g., figuring out how to plot the MOs?)
gannex
gannex
18:10
well all the computations I've been doing have involved finding local minima and saddle points, looking at their frequencies, and comparing their energies. I've never generated any sort of pictures of electron density.
I'm going to read this thing I just found: huntresearchgroup.org.uk/teaching/teaching_comp_chem_year4/…
hBy2Py
hBy2Py
Hm.
gannex
gannex
P.S.: thanks for the maths discussion earlier. Things are becoming clearer now.
I don't think I clarified, did I?
hBy2Py
hBy2Py
That tells you about what you can do with MO / electron density information
But it doesn't really say how to actually make the pictures
thinks
Which CompChem program are you using, mostly? (for the actual calculations)
gannex
gannex
For starters, I want to generate some interaction diagrams with pictures of the different MOs to explain little questions I've asked myself about certain complexes.
hBy2Py
hBy2Py
(no, that clarified enough -- you want to make the pictures)
gannex
gannex
18:13
yes
but I also want to use this sort of approach to help figure out geometries that will lead to overlap so as to find bond formation TS in my research (which involves studying catalyst mechanisms; albeit in main group chemistry)
I'm using Gaussian 09
Gaussian for research, WebMO for my classes.
hBy2Py
hBy2Py
Which OS are you using?
@gannex No problem!
gannex
gannex
Either Mac OSX 10.9.5 or Ubuntu 16.10 with gnome 3
(ubuntu for research, mac for chilling)
hBy2Py
hBy2Py
Eemph.
Not sure what to recommend.
Ah.
gannex
gannex
e.g., one thing I wanted to do was make a picture of a linear M-NO complex to show how the π-donation from N to M actually depopulates an antibonding NO orbital
because my friend was confused about why the bond order of N-O goes up when it's linear
stuff like that.
hBy2Py
hBy2Py
hooh
wow.
I'm not that experienced in interpreting orbital diagrams, so that's all yours to figure out
I think I can get you the pictures, though.
gannex
gannex
18:20
well it was more that I wanted to learn how to do it
hBy2Py
hBy2Py
First, in your Gaussian runs, use output=wfn to generate .wfn files. (see here).
Then, take a look at this Chem.SE post for options for what to do with those .wfn files:
24
Q: Generating neat orbitals/surfaces from molden/wfn-files

pH13 - Yet another PhilippI usually use Gaussian/GaussView and don't have to bother with other programs as I think that GaussView is capable of producing nice orbital/surface pictures like this one of one of uracil's Kohn-Sham-orbitals. But when it comes that I have to use other programs than Gaussian - such as Turbomole...

computational-chemistry software
gannex
gannex
OK that looks like a good start for reading for me.
...so can I only do this on Ab-Initio calculations then?
hBy2Py
hBy2Py
@hBy2Py In particular, it sounds like you need to be sure your Gaussian is updated to D.01 or newer.
Hm, no -- it should work for HF, DFT, etc.
gannex
gannex
OH OK
hBy2Py
hBy2Py
You have to massage the keywords carefully to make sure you're getting the right set of orbitals for post-HF runs (MP2, CI, CC, etc.).
But no, it should work for all methods.
gannex
gannex
18:23
so I just have it write the .wfn file, then whatever modeller I'm using can interpret it?
easier than I'd thunk.
hBy2Py
hBy2Py
One type of run that tends not to work is if you have ECPs
gannex
gannex
sorry, I don't know the term.
hBy2Py
hBy2Py
The wfn format doesn't support them
effective core potentials / pseudopotentials
They swap in for the core electrons in heavy atoms, to (1) reduce the size of calculations and/or (2) include relativistic effects.
gannex
gannex
I'm pretty interested in heavy TM elements actually, but I'm happy to just read other people's research :P
hBy2Py
hBy2Py
There's a related format, wfx, that does support them, but that format itself isn't always supported / written properly by the various compchem softwares, and/or isn't supported/read correctly by the waveform analyzers
gannex
gannex
18:25
my research is about main group chemistry, and now it's starting to involve copper chemistry.
no ECP for me
hBy2Py
hBy2Py
Just something to watch out for. You'll almost certainly have to wrestle with them for 4d and 5d elements
You're probably ok w/o ECPs with Cu.
gannex
gannex
although I am thinking about relativistics as I'm trying to write an answer for this one: chemistry.stackexchange.com/questions/15590/…
hBy2Py
hBy2Py
Ok, meeting, gotta run.
gannex
gannex
OK enjoy
skill patrol
skill patrol
Cya
Jan
Jan
18:46
*sighs* Only 118 score to go until I get Klaus’ golden Mjölnir …
Or Ron’s …
orthocresol
orthocresol
Or mine...
Jan
Jan
Ortho, your’s is different, it’s not golden, it’s diamond.
orthocresol
orthocresol
So, if you heat me up, I will turn into graphite? :(
Jan
Jan
Just your hammer, just your hammer.
hBy2Py
hBy2Py
19:09
@Jan Diamond is an appropriate shape/material for the mod hammer b/c of all the pressure the community puts on it/them.
3
satyatech
satyatech
Ron is a big guy
I do fear asking him questions now
Hexacoordinate-C
Hexacoordinate-C
19:51
@orthocresol hello, I have a little question for you, if I remember you're in the University of Oxford, I have to make in a month a presentation about the University of Oxford and how it influenced and influences the thought of Britons people and politics. I'd like to know if you know someone with who I can speak about that, I'm reading first the wikipedia page but I want to make a good presentation and it looks there are a galaxy of things to say so might be it would be easier if someone can
tell me things about that. Also I don't leave there so it's kinda more difficult for me.
Thank you in advance.
orthocresol
orthocresol
20:11
@Hexacoordinate-C That's a tricky one...
I don't know if I know anybody appropriate for that.
The way I'm reading it, it would be more useful for you to talk to somebody who actually does politics or sociology. The average Oxford student doesn't really know much about this topic.
And I personally don't know the politics people here.. for various reasons. I'm sorry but I don't really have anybody to recommend you to.
Bounty Hunter
Bounty Hunter
20:28
1
Q: Why does N-phenylhydroxylamine give Fehling's test

MesenteryI have studied that Fehling's test is given by aldehydes and alpha hydroxy ketones. I read in a book that it is also given by phenylhydroxylamine converting it to nitrosobenzene. Does it gives the test as it has an alpha hydrogen or any other reason? Are there any more exceptions like this?

organic-chemistry homework
Hexacoordinate-C
Hexacoordinate-C
21:20
@orthocresol no worries, it's ok. It was just in case. I'm doing a "getting ready for the UK" english course, the teacher is Brinton and kinda unpleasant so ^^ for the moment I'm in the big shit like we say in french lol
Thank you the the piece of advice
 
1 hour later…
Jan
Jan
22:49
@Mart I somehow lost my belief in my abilities to spell after that spelling error you found in my thesis … ^^'
skill patrol
skill patrol
23:00
Let "spell-check" restore your confidence :-)
Jan
Jan
Thing is, I spelt the name of an institution wrong. Which is kinda hard to be found by spell-checkers xD
(Also, TeX doesn’t come with spell checkers for good reasons.)
skill patrol
skill patrol
I see.
Jan
Jan
23:34
And then there are things nobody can save you from like almost having written the wrong element due to brainfarts …
Jan
Jan
23:46
The workflow:
– see a new post
– shake head at its title
– open it
– retag
– vote to close
– potentially downvote
– leave.
5
Sᴋᴜʟʟ ᴘᴇᴛʀᴏʟ
Sᴋᴜʟʟ ᴘᴇᴛʀᴏʟ
...knowing when to let your brain fart is an important cognitive function to learn.

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