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 <[email protected]> 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 [email protected] 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 <[email protected]> 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 [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
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