It would be great if someone made one.
On Wed, Aug 24, 2016 at 9:48 AM, J. Bays <pb...@saintmarys.edu> wrote: > Well Wavefunction has such a database, but it is not available to > non-Spartan users, as far as I know. > > J. Philip Bays > Emeritus Professor of Chemistry > Saint Mary's College > Norte Dame, IN > > Sent from my iPad > > On Aug 24, 2016, at 10:39 AM, Jennifer L. Muzyka < > jennifer.muz...@centre.edu> wrote: > > iSpartan has something like that built into their app rather than > calculating things on the fly. I’m not aware of any other database that > has the information you’re looking for, Bob. > Jennifer > > > > Jennifer Muzyka > H.W. Stodghill Jr. and Adele H. Stodghill Professor of Chemistry > Centre College > 600 West Walnut Street > Danville, KY 40422 > > jennifer.muz...@centre.edu > http://web.centre.edu/muzyka > http://organicers.org > > 859-238-5413 > fax 859-236-7925 > > > > > > > On Aug 24, 2016, at 10:34 AM, Robert Hanson <hans...@stolaf.edu> wrote: > > I mean a database of common organic compounds, with molecular orbitals. > Spartan files or Gaussian output -- that sort of thing. > > ------------------------------------------------------------ > ------------------ > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > ------------------------------------------------------------ > ------------------ > > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > > ------------------------------------------------------------ > ------------------ > > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Larson-Anderson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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