Thermally averaged positions of atoms
Hi,
I am looking for a program for calculating the thermally averaged
positions (coordinates) of atoms in small non-rigid molecules (e.g.,
short chain n<10 aliphatic primary and secondary alcohols).
Please send the answers also to Professor Aharon Loewenstein, his e-mail is:
chaharon (- at -) tx.technion.ac.il
Miri
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Dr. Miri Karni
Department of Chemistry
Technion - Israel Institute of Technology
Haifa 32000
Israel
e-mail: chrmiri (- at -) tx.technion.ac.il
FAX:972-4-233735
PHONE:972-4-292699
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