From jabs@chemie.uni-halle.dbp.de  Tue Jan  5 10:52:55 1993
Date:  Tue, 5 Jan 1993 09:52:55 +0100
From: jabs@chemie.uni-halle.dbp.de
Message-Id:  <930105095254*/S=jabs/OU=chemie/PRMD=UNI-HALLE/ADMD=DBP/C=DE/@MHS>
To: chemistry@ccl.net
Subject:  e_mail_adress


Hi,

i am looking for the e-mail adress of
FRANK JORDAN
Carl A. Olson Chemistry Laboratory
Rutgers
The State University, Newark
New Jersey 07102

Thanks in advances

Andreas Jabs

From CHAMH@INDSVAX1.INDSTATE.EDU  Tue Jan  5 11:32:00 1993
Date: Tue, 5 Jan 1993 16:32 EST
From: CHAMH@INDSVAX1.INDSTATE.EDU
Subject: Upgrading AIX on the RS/6000
To: chemistry@ccl.net
Message-Id: <01GT5ZUARPC0000JM9@INDSVAX1.INDSTATE.EDU>


	Dear netters:

Re: Upgrading AIX on the RS/6000

I am considering upgrading the operating system (as, as well, the Fortran
compiler) on my RS/6000; thus, I would go from AIX/6000 V3.1.6 to V3.2.3 and
the Fortran from V2.2 to V2.3.  Most of my applications do not involve the
Windows interface.  I mainly use such utilities as GAUSSIAN 92, MOPAC V6,
KGNGRAF, and many homemade Fortran programs.

The question is whether it's worth the hassle involved in the whole
upgrading process (I don't have a magic genie or a readily available support
person to do this for me).

Does anyone have any advice to offer as to the pros and cons of going along
with 'progress'?  If so, please reply to me at CHAMH@INDSVAX1.

Many thanks,


Arthur M. Halpern

BITNET:  CHAMH@INDSVAX1
Department of Chemistry
Indiana State University
Terre Haute, IN  47809
(812) 237-2182

From frederik@pollux.acs.uci.edu  Tue Jan  5 08:49:11 1993
To: hcj@gull.uncc.edu (Harry C. Johnson)
Subject: Re: Hartree Fock introduction 
Date: Tue, 05 Jan 93 16:49:11 -0800
Message-Id: <25463.726281351@pollux.acs.uci.edu>
From: "Donald M. Frederick" <frederik@uci.edu>


> 	I am looking for a good introduction to Hartree Fock theory
> that is light on math, and yet gives a good overview of the concepts
> involved.  I am already aware of the books by Pople and Szabo. Any
> other references would be appreciated.
> 
> Thanks in advance!
> =============================================================================
>                              Harry C. Johnson IV
> 
>                              Phone: (704)547-4339
> 
>                          E-Mail: hcj@gull.uncc.edu
> 
>                             Department of Chemistry
>                    University of North Carolina at Charlotte
>                         Charlotte, North Carolina 28223
> 
> "Seems to me, its all just chemistry..."
>                                         -Neil Peart
> =============================================================================
> 
> 
> 
> 
> ---
> Administrivia: This message is automatically appended by the mail exploder:
> CHEMISTRY@ccl.net --- everyone      CHEMISTRY-REQUEST@ccl.net --- coordinator
> OSCPOST@ccl.net  send help from chemistry            Anon. ftp www.ccl.net
> CHEMISTRY-SEARCH@ccl.net --- search the archives, read help.search file first
> ---
> 

One good reference is Levine's "Quantum Chemistry" (get the latest edition, 
which is the 4-th, I think). This book provides a decent foundation for
understanding the books by Pople and Szabo.

------------------------------------------------------------------------
        Donald Frederick       |      Office of Academic Computing
        frederik@uci.edu       |      University of California, Irvine
        frederik@UCI.BITNET    |      Irvine, CA  92717
        (714) 725-3200         |      FAX (714) 725-2069
-----------------------------------------------------------------------