METMOD1 force field announcement
Dear Netters,
I would like to announce the new and revised version of METMOD1
molecular mechanical force field of catalytically active, pentacoordinated
tungsta-carbenes.
The description of this force field, the parameter files and some
molecular structures were published in CCL archive, /pub/chemistry/data
directory and reachable via electronically FTP, GOPHER and WWW. The more
complete and precise description of METMOD1 and some guidelines to use it can
be found in the following articles:
Bencze L. and Szilagyi R.: J. Mol. Catal., 1992, 76, 145-156
Bencze L. and Szilagyi R.: J. Organometal. Chem., 1994, 465, 211-219
Bencze L. and Szilagyi R.: J. Mol. Catal., 1994, 90, 157-170
Bencze L. and Szilagyi R.: J. Organometal. Chem., 1994, 475, 183-192
Please do not hesitate to test it! Any feedback is greatly appreciated!
Sincerelly Yours,
Rob
--
-----------------------------------------------------------------------------
Robert K. Szilagyi University of Veszprem METMOD FF
research fellow Dept. Org. Chem. L1
Email: szilagyi #*at*# miat0.vein.hu Veszprem, H-8201 L2 | R1
szilagyi #*at*# indy.mars.vein.hu Egyetem u. 10
>W=C<
Phone: +36-(88)-422022/156 P.O.Box 158 L3 | R2
FAX: +36-(88)-426016 HUNGARY L4
-----------------------------------------------------------------------------