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F'x
F'x
12:42
paper accepted! that's the best feeling ever :)
LordStryker
LordStryker
12:54
@F'x NICE!
congratulations!
what journal?!
F'x
F'x
@LordStryker JACS
(F'x blushes)
I had to come here, I'm so happy but there's nobody in the lab to share my excitement!
LordStryker
LordStryker
13:11
ooooooh buddy!
jacs! very nice!!
Shoot us a link?? I wanna see!
F'x
F'x
@LordStryker it's just accepted for now, not yet online
LordStryker
LordStryker
JACS puts their "Just Accepted" papers online?
pubs.acs.org/toc/jacsat/0/ja
F'x
F'x
@LordStryker well, there are minor revisions requested :)
it'll be "just accepted" in a few days…
LordStryker
LordStryker
ah
And here you got me all excited to read a paper this morning.
F'x
F'x
there you go, just for you :) dl.dropboxusercontent.com/u/52398724/article%20v5%20JACS.pdf
I welcome feedback on the graphical TOC, I didn't have any idea this time
it's actually my first jacs as senior author (previous ones, I was first author)
it's been a good year, actually…
though it hasn't left me much time for StackExchange :(
LordStryker
LordStryker
13:21
woah
the dropbox pdf has all the text running into each other :(
probably the chrome pdf renderer
ah, yes it was
okay we're good
\o hey @Martin !
@F'x Just got accepted into JACS!
Martin
Martin
@F'x congratulations! I am printing right now ;)
F'x
F'x
@Martin great
Martin
Martin
Does anyone know why the privileges went up? @jonsca
F'x
F'x
I'll remove it from dropbox soon, 'cause ACS has very strict policy against preprints & prior publication, I wouldn't want to run into trouble
jonsca
jonsca
It's a glitch, it should be resolved shortly
14
Q: Did all sites just graduate?

Simon André ForsbergSeems like all beta sites just lost the "Beta" status and have increased privilege requirements. I assume this is a bug, what happened here? Did a unicorn ate the wires again? Even though we at Code Review would love to be graduating, I bet a site like Puzzling are going to have a hard time, as...

bug status-completed
LordStryker
LordStryker
13:30
@F'x I stored a copy of your paper already so I'm good to go.
Martin
Martin
@F'x Uhhh whine rack.... neat :D
jonsca
jonsca
Resume your editing and closing!
F'x
F'x
@Martin funny think is, when I started studying the effect they saw experimentally, I was sure it was the wine rack acting (having published just a few papers on the topic recently)
LordStryker
LordStryker
so @F'x, is there a way to actually tell the difference between a proton transfer vs a hydrogen transfer?
F'x
F'x
@Martin turns out, it's not, and the surprising behavior is actually a pressure-induced proton jump (which is quite rare)
@LordStryker looking at the electron density it's clear that I get an H3O+… or am I missing something?
Martin
Martin
13:33
@F'x Haha, I just glimpsed at the word and the picture ( I LOOOOVE PICTURES...), but I will read it soon... so don't spoil me
LordStryker
LordStryker
@F'x I meant experimentally.
F'x
F'x
@Martin well, I'm so excited by this nice phenomenon I have to refrain myself from telling the story to strangers on the street :)
@LordStryker experimentally, they don't even see the proton itself… though theoretically with high enough resolution XRD they might get density maps and see the electrons
Martin
Martin
@F'x I completely understand :D
I have to go now it is already too late for me...
F'x
F'x
in practice, you'd probably need neutrons (and deuterium) just to see the H moving (they're doing it right now), but then you don't see the electrons anymore
LordStryker
LordStryker
Actually, I don't even know how you'd do this with computations without mapping out the reaction pathway and looking at the electron density at every step.
F'x
F'x
13:36
@Martin bye!
LordStryker
LordStryker
@Martin see ya man!
F'x
F'x
@LordStryker for such a clear difference (between H and H^+), it's probably enough to follow atomic charges (use whatever model you prefer, they all have flaws, but that should not be a problem here)
LordStryker
LordStryker
NBO
HA
I hate that thing
well the funny thing is though, nobody ever bothers to check and I only ever see 'proton transfer' in the literature.
I was asked this question once by someone on my committee
I was really stumped at the time because I had never thought about it.
F'x
F'x
@LordStryker well, I had the student check the density
@LordStryker but that's just for double checking: in most cases, you have a good idea of what's chemically plausible and what's not :)
LordStryker
LordStryker
@F'x Well, I only asked because I didn't know the answer to the question and hoped to find one.
F'x
F'x
13:41
@LordStryker I don't know if there is a better one, but know you have my take on it :)
LordStryker
LordStryker
Much appreciated.
F'x
F'x
DISCLAIMER: I AM NOT A QUANTUM CHEMIST. NONE OF THE ABOVE SHOULD BE CONSTRUED AS QUANTUM CHEMISTRY ADVICE. FOR EDUCATIONAL VALUE ONLY. PLEASE CONSULT A PROFESSIONAL TO GET QUANTUM CHEMISTRY ADVICE SUITED TO YOUR SPECIFIC SITUATION.
anyway, gotta go back to work, see you
hopefully I'll have more time to visit Chemistry.SE and the chat in the upcoming months

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