Dear AMMRL,
Two (interrelated) questions:
1) What software exists, either freeware or commercial, that when given
coordinates of an organic ring system will produce predicted coupling
constants? (I have ACD labs 1H NMR predictor but was wondering what else
may be out there).
2) Going the other way, if we have the coupling constants and chemical
shifts, are there programs that will predict coordinates or structures?
Please respond to me and if there is interest I will post a summary.
Jeffrey S. de Ropp, Ph.D.
NMR Facility
UC Davis
One Shields Avenue
Davis CA 95616
jsderopp_at_ucdavis.edu
530-752-7677 office
530-752-6480 MS1-D Lab
530-752-5682 600 MHz Lab
530-754-8238 Chem NMR Lab
530-752-3516 Fax
NMR Facility Web site URL is:
http://www.nmr.ucdavis.edu/
Received on Tue Aug 23 2005 - 19:18:10 MST