The Periodic Table

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user116211

06:25

@Chemobot: ;_; , damn, where are you?

skill patrol

07:11

T_T

Martin - マーチン

07:56

@Jan = unclear what you are asking ;)

3 hours later…

manshu

10:34

*While reading reactions from notebook* "I know it, I know it, I know it, I know it."

*At the time of exam* "What the hell was that reaction?"
:p

manshu

10:56

does -O(+) exist?

2 hours later…

Hippalectryon

12:34

@PhMgBr Broken ? I see "Åna" correctly

Where the hell is chemobot ._.

@Chemobot Stop slacking off -.-

skill patrol

!!!coffee

Chemobot

skill patrol

Hooray @Hippalectryon

manshu

!!!life

He couldn't find life :p

Hippalectryon

skill patrol

12:48

!!coffee

Chemobot

manshu

!!!tea

!!!emma watson

He couldn't find emma watson, that's even more sad.. :(

skill patrol

!!table

!!!gun

!!!table

manshu

!!img/methane

Chemobot

manshu

12:52

(ノToT)ノ　┫：･’.::･┻┻:･’.::･

!!!chemobot

pentavalentcarbon

@Brian Like everything, it depends on what properties you want. Anything that could resemble an excited-state property, you probably want an MCSCF reference. Geometries and vibrational frequencies are probably fine. I actually don't know how the CIS state energies look.

Hippalectryon

@manshu !!!wiki/emma watson

manshu

ahhh thanks

!!img/emma watson

Chemobot

Hippalectryon

.__. emma watson isn't a molecule

manshu

12:55

ahha

Hippalectryon

I never thought I'd say that one day :D

manshu

i didn't know that it only allows molecules

Hippalectryon

img is only for molecules

!!help

Chemobot

Hi! I'm the almighty 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" /!\ You can find my documentation here.

Hippalectryon

^ the commands are explained here

manshu

12:56

!!help

chemobot is a nice toy to play :p

!!flip/human

Chemobot

(づ๑ʖ๑)┛︵ɥnɯɐu

Loong

@manshu wolframalpha.com/input/?i=emma+watson+curve

manshu

@Loong Whoa...that's great

Loong

;-)

manshu

Any tips on how to revise reactions?

Hippalectryon

13:15

@manshu I just do many exercises

Works fairly well

manshu

@Hippalectryon thanks

Brian

13:45

@pentavalentcarbon I tried a quick ROCIS run on Cu(II) yesterday. The UHF/def2-TZVP wavefunction has Cu 4s as the beta LUMO, which is probably not right? It did show a nondegenerate ground state, for whatever it's worth. I didn't fiddle with the UHF to rotate down the nearest 3d orbital; could try it.

Of course, ORCA ROCIS choked when I tried it atop a ROHF wavefunction. ORCA kept insisting on using a "multiconfigurational ROHF wavefunction" (I think is the best term? Two orbitals had fractional occupancies.), and I'm guessing ROCIS didn't like that.

manshu

!!img/1-chloro-2,2-dimethylpropane

Chemobot

manshu

Why doesn't this molecule react with Sn2 mechanism?

Hippalectryon

14:01

It can. Depends on the experimental conditions. But it's most likely to do a SN1

(I gtg, back in an hour or so)

pentavalentcarbon

14:28

@Brian That's definitely not right. I typically use PBE0.

@Brian Here it's probably referring to the configuration-averaged ROHF. The ROHF code has a bunch of options that I don't remember much about.

1 hour later…

Brian

15:30

@pentavalentcarbon Definitely smelled fishy to me. That's Hartree-Fock on transition metals for ya.

orthocresol

@manshu steric hindrance

user116211

15:48

@orthocresol: o/

orthocresol

heya

2 hours later…

Ramanewbie

17:29

@MAFIA36790 yes, it was. @hippa

orthocresol

18:17

A: Why isn't the ion-product constant the sum of the molar concentrations of H+ and OH-?

I agree with orthocresol. The question only requires that you must have knowledge of either Activities (at high-level) or Concentration (at elementary level). You must know have pre-requisite (the reason, I think, your question is an homework-one) about how we deal with concentration/activities i...

manshu

@orthocresol I had the same thought at first but then I realised that the chlorine atom is not directly attached to the carbon which is creating steric hinderance.

orthocresol

19:18

@manshu that doesn't matter. the t-Bu is still fat and bulky, close enough for it to hinder nucleophiles

manshu

@orthocresol ohhkk...thanks

3 hours later…

ringo

22:10

Has anyone tried drinking coffee out of their erlenmeyer flask mug? Because I have, and I think it made me realize why you're not supposed to drink out of lab equipment. It's really bad at retaining heat.

Loong

:-D

ringo

Great for r.t. water though!

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