The Periodic Table

Wildcat

2:00 PM

@LordStryker, CC is toooooooo expansive. :(

and I don't quite understand how it works

LordStryker

Ha, tell me about it

Wildcat

need to master the second quantization...

LordStryker

We're doing CCSDT(Q) energy points currently.

Wildcat

I did some CCSD(T)/CBS calcs for my thesis in Molpro

LordStryker

You want to see crazy CC calcs go look up Pavel Hobza's work.

Wildcat

2:01 PM

th bottleneck was actually memory

LordStryker

The bottleneck is usually the I/O 0.o

Wildcat

bottleneck in a sense i was not able to use 5Z basis

too much memory were required

so I did (TQ)Z extrapolation

which is not that good as I read somewhere

but who cares? :D

LordStryker

@Wildcat It depends on how well converged you are at T->Q

T->Q extraps worked very well in our lab.

D->T extraps were consistently trash

Wildcat

:D

LordStryker

If you are able to, you can use the explicitly correlated -R12 code and get really nice results with DZ or TZ

Wildcat

2:05 PM

I know that

but was not able to setup the inputs properly

there was some problem

not surprisingly

since i have zero background in r12 methods

:D

LordStryker

Molpro documentation sucks butt

Oh!

Just change CCSD(T) to CCSD(T)-F12

thats it :)

MP2 becomes MP2-F12

Wildcat

if i remember correctly you also need some special basis set

but

anyway

it was about a year ago

molpro.net/info/2012.1/doc/manual/node439.html

here we go

In MOLPRO the F12 integrals can only be computed using density fitting (DF) approximations. The many electron integrals are approximated by resolutions of the identity (RI) expansions. Thus, F12 calculations require three different basis sets: the orbital (AO) basis, the DF basis, and the RI basis.

At that time I failed to setup it correctly.

ANd right now I don't care about it. :D

LordStryker

Hey, how old are you @Wildcat if you don't mind me asking?

M.A.Ramezani

@LordStryker As old as the existence.

Everyone's made outta atoms.

Don't mind me...Continue your discussion!

Wildcat

@LordStryker, almost 30 (in human years). :D

LordStryker

2:19 PM

@Wildcat Oh okay. 28 here. I guess we're about the same age.

Jan

\o/ I'm not the oldest!

I got beaten … twice! I like you guys =3

M.A.Ramezani

@LordStryker I think except me, everyone here is about the same age.

From 25-35.

With 1 or 2 year difference.

I don't know how old @Ron is though.

They say 25-35 is the period in life that man learns to be the most mature.

LordStryker

2:33 PM

phew that was quite a bit of effort

0

A: How to read TINKER's force field parameters

Okay I will take a stab at this. Consider the following bond stretching parameters in the TINKER FF file: ################################## ## ## ## Bond Stretching Parameters ## ## ## ###################...

M.A.Ramezani

Oh man! You're gonna earn a Klaus bounty!

2 homework questions in 7 minutes! Ping @Santiago!

Wildcat

From the same user.

With Batman on his avatar.

M.A.Ramezani

@Wildcat That's indirectly threatening us.

LordStryker

@Wildcat Drone was a good suggestion :)

I've definitely found some Van Halen and Pink Floyd inspiration in a couple of tracks on this album.

M.A.Ramezani

Well, I have a weird taste of music.

LordStryker

2:47 PM

@M.A.Ramezani I listen to a little bit of everything :)

But Van Halen is by far my all-time favorite for some reason.

According to my last.fm stats, of the near half-million plays that have been logged since 2005, I've listened to Van Halen over 44k times.

But then Yoko Kanno comes in at number 2 with nearly 13k plays... so go figure.

M.A.Ramezani

Oh my.

How many ks of hours do you listen to music everyday?

LordStryker

The average is 132 songs/day at the moment.

soooo

Wildcat

@M.A.Ramezani, don't worry! We can deal with it!

RELEASE THE KRAKEN! :D

M.A.Ramezani

So,

LordStryker

if each song was around 4 minutes, thats about 8.8 hours worth every day.

Wildcat

2:50 PM

I mean, @santiago!

LordStryker

Its easy when you are a comp. chemist.

M.A.Ramezani

@Martin plays minesweeper while compiling stuff, you listen to music.

@LordStryker Compost chemist? :}

LordStryker

@M.A.Ramezani I am always listening to music.

I like to rock out with my sock out most of the time.

Morning times are best when nobody is here I can crank it to the max. You'd hear it clear down the hall :)

Well, Drones is on its last track. Another music suggestion please :)

M.A.Ramezani

Note to self: Eavesdrop at @Lord's house every morning.

LordStryker

@M.A.Ramezani I mean the hallway at work ;) (aka University)

M.A.Ramezani

2:53 PM

@LordStryker Symphony n.49: Wolfgang Amadeus Mozart.

@LordStryker That's harder. I may need a new plan.

LordStryker

I have no qualms with Mozart and co.

But I think I'll pass for now. Mozart doesn't exactly follow Muse's act very well.

M.A.Ramezani

Hmm...

LordStryker

I think I'll jam to Puscifer while you come up with something.

M.A.Ramezani

Transformers 4:Soundtrack

Wow wut?

> The smallest sound wave our brain can 'hear', vibrates our eardrum almost equal to the width of an oxygen molecule.

Whaddya think?

Oh, they mean 1 Angstrom.

LordStryker

So, the length of one oxygen molecule?

M.A.Ramezani

3:01 PM

Dunno. Think so.

Yay! Earned Civic Duty on meta.chem.SE.

LordStryker

@M.A.Ramezani Now get 3 yearling badges ;)

M.A.Ramezani

Eye eye captian!

LordStryker

I feel like i need to make more coffee...

M.A.Ramezani

More chemistry.

LordStryker

Exactly!

M.A.Ramezani

3:15 PM

@Lord outta curiosity, how many Horse Powers are running on now?

LordStryker

@M.A.Ramezani All of em :)

M.A.Ramezani

Ferrari would be jealous.

LordStryker

Mopar or no car!

There ain't no replacement for displacement

M.A.Ramezani

You Americans!

What's wrong with a bike?

LordStryker

I have a bike.

I also have two legs

I have roller skates

and I even used to have a skateboard

M.A.Ramezani

3:20 PM

Woo!

Imagining...

Oh this one's better:

LordStryker

The truck I drive now is exactly this model and color (except my truck is 2wd).

That second pic is pretty cool.

M.A.Ramezani

Are Americans still muscle-car lover?

LordStryker

@M.A.Ramezani I don't think America will ever outgrow the love for a good muscle-car but we certainly appreciate an gas-economical car these days

M.A.Ramezani

Hmm.

How much does gasoline cost there per liter?

Magic:

0

Q: Disregarding negative externalities and other barriers, what are some fuels that have a higher power density than gasoline?

Gasoline's power throughput per kg is $12,200 Wh/kg$ (Wikipedia.com). Are there any other fuels that have a higher power output that are not considered viable solutions as they are difficult to handle or have negative externalities?

They knew we were gonna talk about fuel.

LordStryker

Sure there are. How about a single atom...?

M.A.Ramezani

3:30 PM

Well, they certainly haven't seen Cesium exploding.

IMO it depends.

LordStryker

You can split any atom with the right amount of energy...

M.A.Ramezani

We can try finding a mechanism to make use of any chemical slash nuclear reaction's energy release.

Then we call 'em fuel.

LordStryker

If a tree falls in a forest and no one is around to hear it, does it still make a sound?

Or, personal my favorite, if a man speaks in a forest and a woman isn't around to hear him, is he still wrong?

2

M.A.Ramezani

Yes.

Hehe!

What? >:|

Who says the heaviest element is gold?!

LordStryker

Nobody says that.

M.A.Ramezani

3:37 PM

Oh that's weird.

In the video they do mention that Osmium is the densest element, but then again, the narrator says it's gold.

LordStryker

scienceline.ucsb.edu/getkey.php?key=2687

M.A.Ramezani

Yep. @Lord I had this addiction before, that I memorized elements' special properties.

I can tell you that gold is 19.32 g/cm3.

LordStryker

3:53 PM

Interesting.

M.A.Ramezani

?

LordStryker

That you memorized these special properties.

M.A.Ramezani

Everything's interesting about me. [Emoticon for bragging]

Jan

* pats you on the head*

M.A.Ramezani

BTW @Jan you're a he, right?

@Lord something even more interesting:

LordStryker

3:58 PM

Ah, good ol' Calvinball.

Jan

@M.A.Ramezani Yeah. Any reason why you're asking other than interest?

M.A.Ramezani

Nah nah...I ask this from everyone.

LordStryker

@Jan Maybe @M.A.Ramezani has a crush on you but wants to be sure.

M.A.Ramezani

Hides

Jan

@LordStryker I would jump on the joke, but I'm not sure about the standings of everybody here so … maybe next time ;)

M.A.Ramezani

4:00 PM

Sometimes I refer to people he, and they become irritated and say I'm a woman you $$#@^%$^%$#^%$#^%$#&^%$#&^%$#, ^%$%$#%$...

LordStryker

Well I'm certainly not passing any judgement on anyone.

M.A.Ramezani

@Jan I'm sitting on a sofa.

Jan

This is the internet. If they want to be clearly recognised as women, they need to write female in their nick. I rather enjoy playing the 'what am I actually?' game.

M.A.Ramezani

Not standing.

LordStryker

@Jan I am computer. :)

M.A.Ramezani

4:01 PM

@Jan I'm a cyclohexane.

Jan

@M.A.Ramezani So much punny =D

M.A.Ramezani

@Lord is a function.

@Wildcat is a Winkabearian cat.

Jan

I keep deciding freshly what I am x3

M.A.Ramezani

@santiago is an international dancer.

Jan

I'm usually a female vampire, though ^^

M.A.Ramezani

4:02 PM

Is freshyl a functional group?

I have a chem exam tomorrow.

Jan

No, it's a typo ^^'

LordStryker

400 more rep and I can vote to close!

Ever since graduation, I've missed that little feature. :(

M.A.Ramezani

I don't miss it.

I'm looking to get Marshal faster.

Jan

634 more rep and I can edit =3

LordStryker

Oh I'll help you out @Jan

M.A.Ramezani

4:05 PM

Who wants rep? Give me some badges!

LordStryker

I do! \o

@Jan You dance on too many marriages??

Jan

@LordStryker Most certainly.

LordStryker

What does it mean?

M.A.Ramezani

@santiago has found a challenger.

Jan

German proverb, meaning that you try to do almost everything.

LordStryker

4:07 PM

That awkward feeling when you find a user on this site who works in your lab...

Jan

At the same time.

I hope I never find somebody who works in my lab on here o.o''''

LordStryker

Member for 5 months

lol

wow, i'm glad I remain anonymous

M.A.Ramezani

Whoa whoa whoa wait...You guys are labmates?

LordStryker

@Jan Well that should help get you closer. You have some really nice answers.

No, I just found a user on this site who is someone who works in my lab down the hall.

Jan

@LordStryker Thanks =3

M.A.Ramezani

4:09 PM

@LordStryker Oh my!

Are they active?

Jan

Right, back to checking whether my reaction worked.

LordStryker

@M.A.Ramezani Not recently no.

Jan

Don't upvote me too much though, or voting will be reversed ;)

M.A.Ramezani

@Jan Hah! There was a nice meta.SE post about this...

LordStryker

Okay maybe I am wrong about this user.

It was the name and a question they asked that made me think it was someone down the hall. Very interesting but unclear.

Jan

4:47 PM

@M.A.Ramezani About how much you can vote for somebody, before it becomes reversed? xD

M.A.Ramezani

No one knows.

Papul

every time I do reactions I get way low yields

M.A.Ramezani

Common! I they told, then everyone would've abused.

@Papul Hullo!

Papul

like 30-40%. When others do the exact same reaction in the exact same procedure they get ~60%

hey there @M.A.Ramezani

M.A.Ramezani

@Papul Why?

Papul

4:50 PM

there is this one research scholar preparing some substituted chalcones and she adds both the reactants to a round bottomed flask and then adds the base. I first generate the enolate and then add the substituted benzaldehyde (which is the correct procedure)

she gets more yield than me

Jan

Maybe the 'correct' procedure just is wrong.

Papul

also where can I find NMR data? I want to compare that to mine

Jan

And hi, @Papul.

Papul

@jan have carried out any aldol reactions in a lab?

Jan

sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng

M.A.Ramezani

4:51 PM

There you go! Talkative badge!

Jan

Oh my god, don't get me started on aldol … well, actually, my aldol isn't the problem, it's the oxidation before the aldol that's killing my yields.

@M.A.Ramezani <3

Papul

I inputted the cas numbers for the compounds I am trying to synthesize but can't find them in this database

Jan

Going for outspoken, next =3

Papul

what oxidation?

Jan

@Papul yeah, they don't have too many, but they're very good with the common ones and give better data than SciFinder imho.

M.A.Ramezani

4:52 PM

@Jan Outspoken requires two months of chat regness, at least.

Unless you're superhuman and get stars for everything you say.

Jan

@M.A.Ramezani It only requires ten starred messages by two different starrers according to my sources … but yeah, can be hard.

Papul

actually I do not know jackshit about NMR. So I cannot read the plots. so wanted to visually compare with the ones available online

LordStryker

Woah hey @Papul lets keep it on the up and up here.

Jan

@Papul I'm attempting to oxidise an alpha chiral alcohol to the corresponding aldehyde and then subjecting that to the dicyclohexylboron enolate of diethyl ketone, to build up three stereocentres in my molecule of interest. My yields are somewhere around 20 % .__.

M.A.Ramezani

@Jan No. It requires 10 messages & from 10 different users.

Papul

4:55 PM

@LordStryker ??

Jan

@M.A.Ramezani Oh, it was ten? Bothergoddamnit xD

M.A.Ramezani

Considering that current regs no <10, then good luck.

Jan

@Papul Depending on what you want to do, I seriously would suggest you familiarise yourself with NMR interpretation, because you won't do chemistry without it ;)

Papul

yeah thats coming in the next few semesters.

I am an undergrad student

so very limited knowledge

I am actually working in a lab helping some research scholars and they are teaching me stuff. Practical knowledge.

BRB.. dinner

M.A.Ramezani

@Papul Waves hands me too!

Ba bye!

Papul

4:58 PM

see ya in a bit

M.A.Ramezani

Pfft. In Iran the most practical experiment this damn educational system teaches you is what an Erlenmeyer is.

Jan

@Papul ah, okay, that's fine by me then ^^

If you do have access to SciFinder, search for your structure and see if there are any experimental spectra put there.

Papul

5:19 PM

@M.A.Ramezani heh we call that conical flask here

first time I heard the name erlenmeyer was probably in breaking bad

Jan

Always 'Erlenmeyer' on my side of the globe xD

Sometimes 'Erli', though ^^

Muzammil

Hello all

Jan

Hi @Muzammil

Muzammil

How are you.. So i am looking for chemistry guru .. in the field of metallurgy may be ..

Jan

Metallurgy? No that's only my preferred discipline in music xD

Muzammil

5:26 PM

ha ha .. mine too .. was jamming metallica's 'one' last evening with my pals

M.A.Ramezani

Hullo @Muzzamil! Welcome to the chatroom!

Muzammil

Hi ramezan

thanks

So anyone ever worked with mercury ?

M.A.Ramezani

Ask your question anyway!

I worked with mercury in the thermometer.

Jan

Only with its salts.

Muzammil

I am trying to plate mercury on a powdered amalgam of Ag, Cu & Sn

I was wondering what could be the best way to do it !

M.A.Ramezani

5:28 PM

Then...

Oh.

Muzammil

What i have done uptil now is to add mix HgCl2 in boiling water with HCl .. and mix it with the powder ..

M.A.Ramezani

Hmm, let me see...

Muzammil

hmm ..

M.A.Ramezani

could there be something relevant here? erowid.org/archive/rhodium/chemistry/znhg.alhg.reductions.txt

Muzammil

hmm .. my alloy has Zn in it to .. but traces

0.4 %

too *

M.A.Ramezani

5:31 PM

You can edit chat messages.

Muzammil

sorry, first timer :)

M.A.Ramezani

Nevermind...I love telling people this stuff.

Muzammil

lemme have a look .. I remember strolling to erowid.org ..

Jan

Goddamnit, I hate optical activities >.<*

M.A.Ramezani

So, is your amalgam mostly Ag?

@Jan Optical activities hate you too.

;}}]

(A guy smiling with a moustache)

Muzammil

5:36 PM

yes ! Ag Cu & Sn mostly !

M.A.Ramezani

Which one of them is more?

Muzammil

umm , Ag is 40 , Cu is around 23 & Sn is the rest ... (% age)

Zn is there , 0.4 %

M.A.Ramezani

That's the weirdest task I've ever seen.

Are you trying to make an artificial tooth outta it?

Jan

@M.A.Ramezani That looks soo~ much like an emperor Wilhelm moustache xD

Muzammil

ha ha , i wish i could make one ..

it'd be cool ..

M.A.Ramezani

5:39 PM

:{)

Muzammil

but this study is related to dentistry .. you got that right

M.A.Ramezani

Hah!

Oh wait...what's this?

Muzammil

This amalgam will eventually be mixed with mercury .. 1:1 ..

M.A.Ramezani

endoexperience.com/documents/decsamalgam.pdf

Muzammil

its a dental amalgam alloy

Jan

5:40 PM

I think I have (+15.7 (+/-) 0.4)° optical activity, but I'm unsure ^^'

Muzammil

so if its coated with a thin layer of mercury, supposedly it will make the amalgamation process faster

Jan

And I'm also relieved at the upvotes on the sugar question; I was scared I might have been totally wrong there ^^''

Sorry for disrupting your on-topic conversation ;)

M.A.Ramezani

Sugar Q?

Jan

3

Q: On adding sugar to water, does the entropy increase or decrease?

This question is a little confusing. According to my teacher the entropy should decrease, but I think that sugar is crystalline first and later it dissolves, so the randomness increases and so the entropy should also increase. What is the correct answer?

thermodynamics entropy

M.A.Ramezani

I'm Googling random stuff and posting the links here @Muzzamil.

@Jan Foof! That's the first time someone disagrees with you on chem.SE?

Jan

5:44 PM

No, wouldn't say so. I'm sure there was a disagreeing comment sometime ago ^^

Muzammil

this document was very informative ... thanks

but it doesn't address how to coat it ..

what about electroless plating ?

M.A.Ramezani

> It is frequently required to coat insulators such as glass and ceramics with
metals. Many methods are available for coating, e.g., baking, chemical vapor
deposition, ion-sputtering, and chemical plating. The chemical plating method
is very effective because the apparatus is simple, it can be done on a complex
substrate, and it is suitable for mass production.

> This method can be classified
into two categories: (1) the galvanic exchange deposition method, where the
potential difference between metals is utilized; and (2) the electroless plating
method, where reducing agents are used. In this chapter, only electroless
plating will be reviewed.

Oh my!

Here's the link.

Muzammil

thanks .... yeah .. i read this book .. its very informative ..

was reading the same chapter yesterday :D ..

M.A.Ramezani

DAMMIT!

wseas.us/e-library/conferences/2012/Vienna/MENREG/MENREG-16.pdf

Muzammil

but these reactions !! remind me that I am actually an engineer .. thrusted to intervene in chemistry !!

M.A.Ramezani

5:54 PM

atotech.com/fileadmin/pdf/papers/el/…

@Muzammil Then intervene!

google.com/patents/US6065424

Hullo @Wildcat!

We're currently trying to make @Muzammil intervene.

LordStryker

Intervene with what?

Jan

Such intervention.

M.A.Ramezani

@LordStryker Ask him...I dunno!

@Muzammil Did you hit anything interesting in those articles?

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