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Up Directory CCL September 29, 1995 [006]
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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   |
|Wavefunction Inc.      |   \ \\\\\\\\/	   | Fax:    (714)955-2118   |
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