From chemistry-request@ccl.net Sat Aug 15 13:21:58 1992
Date: Sat, 15 Aug 92 15:49:44 GMT
From: madura@hobbes.chem.uh.edu (Jeffry Madura)
To: d3f012@gator.pnl.gov
Subject: Survey
Status: R

Dear Mark,

   My responses to your survey are

     1.  C
     2.  C
     3.  A
     4.  C
     5.  C

      Regards,

       jeffry


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From reg@chem.UCSD.EDU Sat Aug 15 14:55:06 1992
From: reg%sdchemw2.ucsd@chem.UCSD.EDU (Richard E. Gillilan)
Subject: Re: generic internal-to-cartesian program in source
To: chemistry-request@ccl.net (judson richard s)
Date: Sat, 15 Aug 92 11:51:42 PDT
Status: R

> 
>  Netters,
> 
>  Is there a code available that does generic internal-to-cartesian
>  conversions given a list of connectivities. All the commercial
>  packages have this buried in them, but I need source for a code I'm
>  building.
> 
   H. Essen, J. Comp. Chem. 4 (2) p136 (1983) gives a fortran
   listing, but it's not very legible.

--

Richard Gillilan


From chemistry-request@ccl.net Sat Aug 15 15:29:58 1992
Date: Sat, 15 Aug 92 13:32:30 EDT
From: mohr@krypton.chem.buffalo.edu (Jim Mohr)
To: CHEMISTRY@ccl.net
Subject: second derivatives
Status: R


Dear Netters -- Can anyone tell me if there is any literature out
there on analytical second derivatives for semiempirical methods?
Thanks in advance.

Jim Mohr
mohr@argon.chem.buffalo.edu

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