Subject: Re: CCL:Hartree Fock enegy

From: Steve Williams <[email-masked]>
Date: Thu, 17 Sep 1998 07:15:34 -0400

At 03:03 PM 9/14/98 +0000, you wrote:
>
>Hi ccl'ers
>Could someone tell me /point me in the right direction as to where I 
>can find a reference as to conversion of Hartree Fock energy to 
>KJ/mol.  A reference would also be much appreciated.
>Many thanks
>
>
1 hartree is 627.5095 kcal/mol, and 1 kcal is 4.184 kJ exactly.
>
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*****************************************
Steve Williams               F    F    F
Chemistry                     \  / \  /
Appalachian State University   Al   Al
Boone, NC 28608               /  \ /  \
USA                          F    F    F
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