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
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