From: |
hcj "at@at" mazda.wavefun.com (Harry C. Johnson) |
Date: |
Fri, 29 Sep 95 11:42:58 -0700 |
Subject: |
Re: CCL:parameters for NiO and CoO |
>>>>> "Andy" == CTARG writes:
Andy> Two pleas for help
Andy> - single crystals?
Andy> - parameters for Ni or Co, these can be force field,
Andy> semi-empirical, or ab-initio - I don't mind.
Spartan's PM3(tm) formalism has parameters for both Ni and Co, as well
as 13 other transition metals. If you would like more information,
please feel free to contact me.
-Harry
+-----------------------+------------------+-------------------------+
|Harry C. Johnson IV | ______________ | E-Mail: hcj %! at !% wavefun.com |
|Computational Chemist | \ _________ / | Phone: (714)955-2120 |
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