Room for Safdar and Anindya Prithvi

Anindya Prithvi

15:56

Actually what crossed my mind is, during aldol the OH abstracts H from Alpha carbon where as GR being a strong reagent isnt able to for the case of acetone

So my Chem teacher said that it's due to the concept of HSAB

Safdar

@AnindyaPrithvi Actually R- is a stronger base than OH- so R- would be harder.

Anindya Prithvi

Now to verify the claims of HSAB i have to verify the hardness on MPC ...So i would be a little dependent but i guess that'll be okay for now since am in 12th passed waiting for iit this year

yes thats the thing

Safdar

Feel free to ask doubts if you have them. I'm here on 12x7.

@AnindyaPrithvi How was mains?

Anindya Prithvi

Given that one doesnt know Hard soft acid bases they would only think that the stronger it is, the easier the acid base

but when HSAB comes to play, acid base is on another concept of spatial charge density

mains was good enough 99.3232, in phy i got 99.98

Safdar

@AnindyaPrithvi Nice job on physics. :) What screwed up?

Anindya Prithvi

16:00

Mr. Chemistry

inorganic

Safdar

@AnindyaPrithvi And now focusing on that. You may be a threat to me... :)

Anindya Prithvi

Why so XD

you are in 12th as well?

Safdar

@AnindyaPrithvi I am in the same year as you...

Anindya Prithvi

Lol

What are you focusing on

And how was yours

Safdar

@AnindyaPrithvi I am an IIT aspirant. 99.81 for Mains..

Anindya Prithvi

16:03

Ohh great

I meant which branch tho

xD

Safdar

@AnindyaPrithvi focusing on getting IIT B CS. But I have to get CS irrespective of college.

Anindya Prithvi

And please document the usage of MPC

Safdar

@AnindyaPrithvi You sure about that?? I only use it for Chem SE..

Anindya Prithvi

I used to be CS cs cs CS cs CS all the time, but then it came to a halt altogether. I have completed a course in quantum computing yet i lack interest in CS

yaa sure

I am much more of a broad scoped aspirant

Safdar

webMO.net Demo server..

@AnindyaPrithvi I haven't focused on CS yet.. Just know that is what I want.. How was quantum computing? Where did you learn from??

Anindya Prithvi

16:07

Quantum computing is much more of a physics and linear algebra lecture ...but it was fun, check quiskit and QC S.E.

Safdar

Alright. Gotta go. Nice talking to you..

Anindya Prithvi

Ohh okay, Nice talking to you as well

Is the UI of webmo same as this

Safdar

webmo.net/demoserver/cgi-bin/webmo/login.cgi

@AnindyaPrithvi Does this work?

Anindya Prithvi

Yes I was playing around a bit

where are the mullikan Charge density and similar

Safdar

@AnindyaPrithvi You need to first calculate them..

Anindya Prithvi

16:21

Calculate has 3 options

Safdar

So Right Arrow on the bottom. Select Gamess. Right Arrow.. DFT instead of RL.. B3LYP instead of BLYP and then 3-21G instead of 6-23G. Go for Molecular energy and then calculate.

@AnindyaPrithvi

Anindya Prithvi

lemme

You dont need to @ me, I have all notifs on

@Safdar

Safdar

You also need to symmetrize.. Calculate Symmetize.. before optimising.

Anindya Prithvi

Ya i did that

Any reason for the above configurations?

Safdar

Its the one I use and so far most reliable to get MCP..

Anindya Prithvi

16:27

Ohh okay

where did you learn about this

How long does it run for?

Safdar

https://chemistry.stackexchange.com/questions/136886/acidity-of-phenol-and-carboxylic-acid

I needed data for this. So, I spent a day finding it.

@AnindyaPrithvi 30 s.. but it gives a very good approximation. It is a demo server//

Anindya Prithvi

Ohh We have something in common haha :P

what next

there is data viewer

which is blank

Safdar

@AnindyaPrithvi Scroll down..

Anindya Prithvi

Got itttt thanks a lott

Safdar

You checked for acetone?

Anindya Prithvi

16:32

Yes

C3H6O

Job # 676498

Safdar

The most recent one.. You could've just taken from another one and used that you know.

Anindya Prithvi

Probably 676466 is ours

yours*

Safdar

Yeah..

Anindya Prithvi

I didnt know that, but now i do, I have bookmarked required pages

Thanks for your help

Safdar

Check the newest one.. Should give you MPC for the haloform

Anindya Prithvi

16:36

#??????

Safdar

676501

Anindya Prithvi

did you symmetrize?

C4 and C2 show different charges

and seems like grignard would love to attack carboxyl

@Safdar

You used C1 symmetry...should use C2 about the central carbon

Transcript for

Room for Safdar and Anindya Prithvi