[comp.sources.wanted] Looking for machine-readable chemistry data

bernhold@qtp.ufl.edu (David E. Bernholdt) (10/13/90)

I'd be interested in hearing about collections of machine-readable
chemistry data.  PD preferred, but its nice to hear about other
sources too.

The main thing I'd like at the moment are basic information about
elements: Average weight, number of isotopes, weight & abundance of
each isotope, etc.  Other nifty data includes ionic/covalent/van der
Waals radii, etc.  Obviously much of this stuff is available in print
(CRC, for example), but I'm wondering if anyone has it in
machine-readable form.  And of course everything should come from
verifiable sources in the literature (hopefully references would be
provided?).

Since I suspect there might be wider interest, I don't want to
restrict myself to only the above data -- email me about any
collections of chemical data of which you are aware and I will collect
& summarize in sci.chem.

Thanks in advance.
-- 
David Bernholdt			bernhold@qtp.ufl.edu
Quantum Theory Project		bernhold@ufpine.bitnet
University of Florida
Gainesville, FL  32611		904/392 6365

whitbeck@unssun.nevada.edu (Michael Whitbeck) (10/14/90)

Check comp.sources.misc. There you'll find a periodic table
program with some of the data mentioned. The program draws a
periodic table on the screen (using curses/termcap) and alows
the user to interogate wrt ionization, year-of-discovery, mp,
etc.

mikew@wheeler.wrc.unr.edu @wheeler.UUCP etc.
these opinions are mine- my employer has none

mjd@central.cis.upenn.edu (Mark-Jason Dominus) (10/18/90)

Heh.  You can find name, number, symbol, and atomic weight
in /usr/games/lib/quiz.k/elements on nearly any kind of UNIX
system.  

For a while I had the YP (pardon me--`NIS') service on our
suns serving this information.  
--

 In some sense a stochastic process can do better; at least it has a chance.
Mark-Jason Dominus 	  			    mjd@central.cis.upenn.edu