19F chem. shifts

G. Pearson (gpearson@blue.weeg.uiowa.edu)
Thu, 16 Jan 1997 20:00:27 -0600


Does there exist any software for predicting 19F chemical shifts in
fluorocarbons? Are there any chemical-shift programs used for 13C, 1H,
etc., which could be adapted to 19F by adding an appropriate data base?

-- Gerry
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Gerald A. Pearson INTERNET: gerald-pearson@uiowa.edu
Chem. Dept., Univ. of Iowa OFFICE: 319-335-1336
Iowa City, IA 52242-1219, USA LABS: -1332, -0073 FAX -1270
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bruker-users-mail@bloch.cchem.berkeley.edu
mail acornjack@aol.com
NUTS, SAM, etc.

Jack,

I generated a requisition for a P.O. for 1 yr. renewal of our NUTS-site-
license software support, as well as 1-copy licenses for SAM and for The
Virtual NMR Spectrometer (TVNS). I want to thoroughly evaluate the last
2 programs for possible use in teaching/training around here.

If we decide to use SAM and/or TVNS seriously, we would probably want to
get site licenses.
That way, we could put it on the PC's in the NMR labs and the PC's in
the computer room, and maybe even in some of the individual labs, so that
people could leisurely work with the stuff _without_ having someone
breathing down their neck waiting to get on the PC. IMHO, it's _very_
important for students to have _very_ easy access to teaching software.
Also, I would not have the inconvenience of keeping track of _which_ PC's
have _which_ programs on them, and making sure that _only_ the "legal"
number of copies is installed at any given time; that's just one extra
piece of busywork which I can do without.

So, what would be the site-license prices for SAM, and for The Virtual
NMR Spectrometer? (I would guess 10 X $250 = $2500 for each of them, but
I'd like to verify this.)

-- Gerry
---------------------------------------------------------------
Gerald A. Pearson INTERNET: gerald-pearson@uiowa.edu
Chem. Dept., Univ. of Iowa OFFICE: 319-335-1336
Iowa City, IA 52242-1219, USA LABS: -1332, -0073 FAX -1270
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