Re: NMR prediction

["Ananikov V.P." <val -8 at 8- nmr1.ioc.ac.ru>]

 On Wed, 18 Dec 1996 08:54:32 +0100 (MET),
 Gianluca Sbardella  <r.ragno -8 at 8- caspur.it> wrote:
 >
 >
 >Dear colleagues,
 >I'm looking for a good program (freeware) for the prediction of NMR
 >spectra of given structures.Can anybody help me?
 >Any reference (ftp sites or eveything else..) would be appreciated.
 >Thank you a lot in advance,
 >
 >Gianluca Sbardella
 >
 Dear Dr. Gianluca,
   If you are looking for nmr software a good point to start is
   NMR Software List prepared by P.Lundberg (Peter.Lundberg -8 at 8- chem.umu.se)
   available at:
            http://www.chem.umu.se/divisions/fk/EduNMRSoft.html
   For practical purpose, it is good to begining with the programs
   calculating chemical shift with additivity relationships, usually they
   are simple and easy to use. I think there is no freeware in this class
   of programs because of for increasing accuracy a very large data base
   with experimental chemical shifts is needed.
   You can try ACD/CNMR for 13C and ACD/HNMR for 1H chemical shift
   prediction. ACD/CNMR v1.0, 1995 uses an internal data base with over
   than 120,000 experimental chemical shifts and calculates 13C NMR spectra
   for almost any drawn structure. Demos are available at:
                          http://www.acdlabs.com
   The people interesting in additional information about ACD Inc. products
   may subscribe to ACDLabs_prog mailing list.
   To receive more info send an e-mail with HELP in the body of the letter
   to:
                       ACDLabs_prog-Request -8 at 8- nmr1.ioc.ac.ru
   (some authors of ACD/NMR package are subscribed to this list).
 Happy new year!
 best wishes,
 Valentin.
 Valentin P. Ananikov  (Post-Graduate Student)
 NMR Laboratory
 N.D. Zelinsky Institute of Organic Chemistry
 Leninsky Prospect 47
 Moscow  117913
 Russia
 e-mail: val -8 at 8- nmr1.ioc.ac.ru
 Fax     (095) 135 5328
 Phone   (095) 135 9094, (095) 938 3536