/sci/ - Science & Math » Thread #14193673

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/cg/ - Chemistry general

Anonymous Sun 06 Feb 14:46:17 2022 No.14193673 View Reply Original Report

Quoted By: >>14199898 >>14200380 >>14230974

Continuing the tradition of creating generals for underappreciated /sci/ topic.

Anonymous

Anonymous Mon 07 Feb 2022 18:25:40 No.14198415 Report

Quoted By:

>>14193758
>>classical/Hamiltonian mechanics
know any good quickguides? Not sure I wanna dedicate my life yet, but I've got some old notes from college and it seems like a fun way to practice coding

Anonymous

Anonymous Mon 07 Feb 2022 19:19:25 No.14198622 Report

Quoted By: >>14199917

We have a chemistry general on /diy/ as well. Maybe some of you might enjoy it.
>>>/diy/2309628

Anonymous

Anonymous Mon 07 Feb 2022 20:52:54 No.14198927 Report

Quoted By:

>>14198198
UCI open chemistry

Anonymous

Anonymous Mon 07 Feb 2022 22:20:09 No.14199163 Report

Quoted By:

I don't know if it's a good thread but I want to get into herbal medicine, herbalism, primitive chemistry, alchemy. Any books for me?

Anonymous

Anonymous Mon 07 Feb 2022 22:28:19 No.14199191 Report

Quoted By: >>14199223

>>14193900
chemicals are expensive. you do extensive theory work, which involves using computation, before telling people to waste their money on the materials.
if you are a serious chemist, you have to embrace computational chem as part of your process.

Anonymous

Anonymous Mon 07 Feb 2022 22:40:09 No.14199223 Report

Quoted By: >>14199411 >>14202119

>>14199191
The theory lags the experiments for cutting edge shit.
Try to model n-type organic semiconductor doping computationally.

Anonymous

Anonymous Mon 07 Feb 2022 23:57:45 No.14199411 Report

Quoted By:

>>14199223
Diffusion monte carlo could do that , just needs around 500 cores and a few days

Anonymous

Anonymous Tue 08 Feb 2022 03:14:11 No.14199898 Report

Quoted By: >>14209382 >>14225521

>>14193673
What happens when you react 1 mole of each of lithium diisopropylamide with 2,4-dinitrotoluene and ferrocene under reflux? As a 2nd year chem student at uni, I can never predict what happens with these random combinations. Is there a way to predict the product of random reagent combinations?

Anonymous

Anonymous Tue 08 Feb 2022 03:19:52 No.14199917 Report

Quoted By:

>>14198622
Thank you, seems much more my style

Anonymous

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Anonymous Tue 08 Feb 2022 06:13:54 No.14200380 Report

Quoted By: >>14209986

>>14193673
Gold Chloride precipitated with Sodium carbonate to gold hydroxide/carbonate turns from orange to black to red when mixed with 20 to 1 inert silicone dioxide to prevent excess sublimation and heated. Solubility also increases in the red state.

What would be a biocompatible solvent? Perhaps D-Limonene.

How would you design a biocompatible and halide free gold compound? Literature on the subject is sparse for obvious reasons.

Anonymous

Anonymous Tue 08 Feb 2022 17:21:33 No.14202026 Report

Quoted By:

>>14193732
What software?

Anonymous

Anonymous Tue 08 Feb 2022 17:52:52 No.14202119 Report

Quoted By: >>14218981

>>14199223
Somehow I don't believe you. Chemistry is definitely the empiricist's subject, but given the crossover with quantum chemistry and the explosion of comp. chem in the drug discovery and materials science space (also the explosion of interest in quantum computers literally because they're good at solving quantum chem problems), I think computational modeling is becoming one of the working chemist's greatest tools.

Of course there is no replacement for experiment and lab work - it doesn't aim to do that. It's just another form of theory that is itself more experimental while still reasoning on models. It complements lab work.

Anonymous

Anonymous Tue 08 Feb 2022 18:26:43 No.14202220 Report

Quoted By:

>>14198198
kinda late but
>nile red on youtube does great walkthroughs >covers inorganic and organic you would encounter in class.
>doesnt dive too much into practical or theoretical chem.
>/t/ has resources you can torrent like textbooks, classes, and other resources you can download.
> almost no risk since most educational resources doesn't enforce copyright well.

Anonymous

Anonymous Tue 08 Feb 2022 19:53:17 No.14202536 Report

Quoted By:

>>14198067
look up “ACS style guide”

Anonymous

Anonymous Wed 09 Feb 2022 04:38:56 No.14204597 Report

Quoted By: >>14231639

>>14193732
Any good resources on computational chemistry?

Anonymous

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Anonymous Wed 09 Feb 2022 12:23:04 No.14205609 Report

Quoted By: >>14205838

Chembros...
How do I calc the ph when combining an acid and a base

Anonymous

Anonymous Wed 09 Feb 2022 13:59:00 No.14205838 Report

Quoted By:

>>14205609
If it is not a buffer it is easy
else try henderson hasselbach

Anonymous

Anonymous Wed 09 Feb 2022 14:43:48 No.14205942 Report

Quoted By: >>14208171 >>14208713

Anyone else extremely bored/unsatisfied with their academic chemistry career? I’m into my second year as a postdoc (couldnt land an industry job due to covid) and I dread going to work every day.
Is the indistrial work environment more rewarding?

Anonymous

Anonymous Thu 10 Feb 2022 00:13:13 No.14208171 Report

Quoted By:

>>14205942
I work for the government and have lost all interest in this field. Have been doing this too long. I now understand how government employees become the way they are.

Anonymous

Anonymous Thu 10 Feb 2022 02:40:29 No.14208643 Report

Quoted By:

>>14195771
Stroustrup

Anonymous

Anonymous Thu 10 Feb 2022 03:09:59 No.14208713 Report

Quoted By: >>14210016

>>14205942
What do you work on?

Anonymous

Anonymous Thu 10 Feb 2022 05:38:33 No.14209382 Report

Quoted By: >>14225509

>>14199898
>LDA
>Reflux
Tar, you fucking get tar

It will rip the proton on the 3rd position int the dinitro T, fuck if i know what ferrocene is doing in here

Anonymous

Anonymous Thu 10 Feb 2022 10:21:47 No.14209986 Report

Quoted By:

>>14200380
Literally and gold complex probably with sulfur containing ligands

Anonymous

Anonymous Thu 10 Feb 2022 10:39:42 No.14210016 Report

Quoted By: >>14219007

>>14208713
Polymer synthesis mainly. My work gets published quite easily, because in the paper I’ll lie about my procedures being green and economically feasible, like everyone else. My work will never be applied irl, because its not green or feasible.

Anonymous

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Anonymous Thu 10 Feb 2022 19:03:02 No.14211920 Report

Quoted By: >>14212877 >>14216295 >>14219013 >>14228218 >>14231639

>>14193732
God I wish there were some reasonably user friendly open source chem comp software to fuck around in. I could waste so much time fucking around.

Anonymous

Anonymous Thu 10 Feb 2022 19:07:37 No.14211949 Report

Quoted By:

>>14198198
>I just failed general chemistry exam.
don't bother unless you literally didn't do any work

Anonymous

Anonymous Thu 10 Feb 2022 21:30:11 No.14212877 Report

Quoted By:

>>14211920
NRGSuite (Pymol plugin) is quite user friendly when it comes to docking programs with GUI's

Anonymous

Anonymous Fri 11 Feb 2022 05:34:30 No.14216295 Report

Quoted By:

>>14211920
check out TMPchem's comp chem playlist, he shows you how to use avogadro and VMD

Anonymous

Anonymous Fri 11 Feb 2022 19:25:49 No.14218327 Report

Quoted By:

>>14195143
Carbon residue or highly dispersed sulphur. Stuff like that is especially nasty if it is inside something like a fractional distillation column where you can't really reach all places to clean by hand.

Anonymous

Anonymous Fri 11 Feb 2022 22:38:34 No.14218981 Report

Quoted By:

>>14202119
It's useful in areas where there's a large data set of experiments to tune the model against for the given application. This shit can be a black box as to why one level of theory is better for one system than another and is often arrived at through trial and error.
For really unprecedented reactions/molecules/materials it's not so useful for predictions. It also take a bit of acumen on the part of the user. Lots of theoryshitters will pull a mechanism out of their ass that an experimentalist that has experience in that area will know is retarded in one glance.

Anonymous

Anonymous Fri 11 Feb 2022 22:45:04 No.14219007 Report

Quoted By:

>>14210016
>My work will never be applied
This is the plague in modern chemistry/material science. The drive to produce a "useful" thing as opposed to just pursuing the fundamental questions. If you're after something economically viable it will cause you distress when it isn't (like 99% of all shit). If you just care about "if X, then Y?" even "no" is a satisfying answer. Good luck funding that shit though. Applied research is mostly a grift.

Anonymous

Anonymous Fri 11 Feb 2022 22:46:16 No.14219013 Report

Quoted By:

>>14211920
There are a lot of guides on how to use ORCA with other shit.

Anonymous

Anonymous Sat 12 Feb 2022 16:54:43 No.14221341 Report

Quoted By: >>14225880

is there a study guide or recommended reading list for someone who wants to get into chemistry?
I am a beginner who needs to get a grasp of the basics.

Anonymous

Anonymous Sun 13 Feb 2022 09:15:37 No.14224138 Report

Quoted By: >>14224697

What's a good alternative to Atkins? I want to learn physical chemistry but I don't like his style.

Anonymous

Anonymous Sun 13 Feb 2022 13:50:18 No.14224697 Report

Quoted By:

>>14224138
McQuarrie

Anonymous

Anonymous Sun 13 Feb 2022 19:07:46 No.14225509 Report

Quoted By:

>>14209382
He could be trying to bridge the cyclopentadienes of the ferrocene with the dinitrotoluene

Anonymous

Anonymous Sun 13 Feb 2022 19:10:18 No.14225521 Report

Quoted By:

>>14199898
>Is there a way to predict the product of random reagent combinations?
Sometimes with basic orgo knowledge, however your best bet is to look it up and if that fails do it yourself.

Anonymous

Anonymous Sun 13 Feb 2022 20:27:53 No.14225820 Report

Quoted By:

>>14194203
Yea that's common. For example, a Jones oxidation of a primary alcohol will spit out esters but somehow papers report 89% yield without mentioning this. The only source I've ever read explicitly mention that Jones spits out esters is Vogel's Practical Org textbook

Anonymous

Anonymous Sun 13 Feb 2022 20:30:40 No.14225829 Report

Quoted By:

>>14195456
I've used tBuLi for metal-halogen exchange before and it's not the Boogeyman people make it out to be. Hell nowadays I dispense MeLi/nBuLi like it's a diet coke (still use a string though)

Anonymous

Anonymous Sun 13 Feb 2022 20:47:09 No.14225880 Report

Quoted By: >>14226793

>>14221341
Chemistry 3 by Burrows

Anonymous

Anonymous Mon 14 Feb 2022 01:02:39 No.14226793 Report

Quoted By:

>>14225880
thanks a lot

Anonymous

Anonymous Mon 14 Feb 2022 01:57:19 No.14226941 Report

Quoted By:

>tfw mods 404'd an xray diffraction thread

Anonymous

Anonymous Mon 14 Feb 2022 02:28:24 No.14227023 Report

Quoted By:

I'm halfway through his series. Is it good? I hardly know about chem. Is zumdahl worth buying or is there a better textbook?

Anonymous

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Anonymous Mon 14 Feb 2022 02:31:28 No.14227029 Report

Quoted By:

I'm halfway through his series. Is it good? I hardly know about chem. Is zumdahl worth buying or is there a better textbook?

Anonymous

Anonymous Mon 14 Feb 2022 13:16:27 No.14228218 Report

Quoted By:

>>14211920
learn to code
RDKit is great for general chemisty manipulation, and when you want to get into 3D, there are options (Vina AutoDock being one example)

Anonymous

Anonymous Mon 14 Feb 2022 17:57:54 No.14229071 Report

Quoted By: >>14229311

how to make explosive

Anonymous

Anonymous Mon 14 Feb 2022 19:27:59 No.14229311 Report

Quoted By:

>>14229071
beans and raw garlic

Anonymous

Anonymous Tue 15 Feb 2022 03:04:18 No.14230606 Report

Quoted By:

>5 years of experience + a bachelors degree in chem lands you $50k/y
JUST

Anonymous

Anonymous Tue 15 Feb 2022 06:00:13 No.14230974 Report

Quoted By:

>>14193673
biochem best chem

Anonymous

Anonymous Tue 15 Feb 2022 14:05:07 No.14231639 Report

Quoted By:

>>14195771
http://scipy-lectures.org/, Learning Python by Mark Lutz, C++ Pocket Reference for rules because larger C++ books make me want to off myself.

>>14195438
MP2 overbinds hard. Modern functionals do a lot better than the old ones. Comparing MP2, said functionals, and double hybrids is a good exercise.

>>14204597
Frank Jensen, Christopher Cramer, Andrew Leach

>>14211920
In addition to the other good suggestions, Psi4

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