Dear Friends,
I like to thank those of you who have contributed to my inquiry of 2H
lineshape simulation softwares. They are Michael Bernstein, Sophia Hayes,
Johannes Leisen, Jeffrey H. Simpson, and Bob Taylor. Here is the summary
information from what I have found.
1. Web-based Program from Max-Planck Institute for Polymer:
(
http://alphix6.mpip-mainz.mpg.de/weblab/).
which does simple models and complicated models involving the distribution of
correlation times or jump angles.
2. A Program called MXQET from Bob Vold:
(
http://nmr.physics.wm.edu/~rlv/nmrsite/programs/programs.html).
3. (
http://www.adeptscience.co.uk/products/lab/gnmr/index.html)
4. MEXICO from Alex Bain:
(
http://www.chemistry.mcmaster.ca/faculty/bain/exchange.html).
5. You may find more useful stuff at the site:
http://dmoz.org/Science/Chemistry/Nuclear_Magnetic_Resonance/
6. Program for motion study of guest molecules from a research group in
Japan, which is available upon request. Please contact Dr. Shin-ichi
Nishikiori at cnskor_at_mail.ecc.u-tokyo.ac.jp. For more information, please
consult with their publication:
S. Nishikiori, et al., J. Phys. Chem. A, 2000, 104, 2591-2598.
cheers,
Jerry Hu
------------------------------------------------------------------------------------------------
Jerry Hu, Ph.D. email: jghu_at_mrl.ucsb.edu
RD Engineer Tel: (805)893-7914
Materials Research Lab, UCSB Fax: (805)893-8502
Santa Barbara, CA 93106
Received on Tue Sep 30 2003 - 15:03:06 MST