I have just uploaded to iamsun.unibe.ch a new program with the name GRFIT:

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                                  "GRFIT"

                     A USERFRIENDLY PROGRAM FOR SOLVING
                        CHEMICAL SPECIATION PROBLEMS:

                     EVALUATION OF EQUILIBRIUM CONSTANTS,
                CONCENTRATIONS AND OTHER PHYSICAL PARAMETERS.

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              Christian LUDWIG, Berne (Switzerland), 11.Dec.1992

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GRFIT is a program written for IBM-PC computers working under
DOS. It solves solution speciation problems in heterogeneous and
in homogeneous systems. It is specially written for evaluating
concentrations, thermodynamical equilibrium constants and –
depending on the chosen double layer model – capacities or site
densities as well.

GRFIT can be downloaded from iamsun.unibe.ch via anonymous ftp. You find it
in the directory /PC.

Hello.  Recently we acquired a copy of the FORTICON8 extended huckel theory
program, but do not possess any documentation.  Does anybody by perchance have
a manual (or at least a specification of the various options) for this program
online?  Secondly, we are possibly interested in scattered wave Xa
calculations, and are therefore looking for a program.  If anyone has one
available, or pointers to one they’ve used and trust, that information would
be appreciated.

Thank you for your time.  We’re trying to get some qualitative work done, being
as the organometallic systems of interest are too big to do by Hartree-Fock
methods on our VAX.
                                                -fred

What are the steps in preparing arsenic trioxide from metallic arsenic?
The procedures that I know require the extraction of white arsenic (trioxide)
from lead ore.  Can anyone suggests a more simplified approach?

And no, I don’t intend to poison anyone (although I am tempted).  I need a
sample for a lab demonstration of the Marsh test.  This is for a
law enforcement class in forensic chemistry.

Thanks in advance!

==================
Jose’ R.C. Cruz
Graduate Assistant
Mankato State University
Mankato, MN

==================

"Eliminate the impossible.  Whatever remains, though highly improbable,
 must be the truth."

              – Sherlock Holmes

–
::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
Howard Berkey                                              how…@netcom.com
                               I Am Electro
… .. …   … .. …   … .. …    … .. …   … .. …   … .. …

               CENTER FOR COMPUTATIONAL QUANTUM CHEMISTRY

             Summer Research Fellowships for Undergraduates

LOCATION: The Center for Computational Quantum Chemistry, The University
of Georgia in Athens, Georgia.

DIRECTOR: Dr. Henry F. Schaefer, III.

RESEARCH: Each Summer Research Fellow will conduct an independent
research project under the guidance of a Senior Scientist and will
receive adequate training (lectures and computer workshops) in molecular
quantum mechanics and spectroscopy.  Research at the CCQC involves the
use and development of state-of-the-art theoretical methods to describe
the electronic structure of molecules.  A wide variety of chemical
problems have been examined using _ab initio_ methods such as
Self-Consistent Field, Configuration Interaction, and Coupled Cluster.

Some examples include:
(1) silicon analogs of common hydrocarbon compounds;
(2) potential energy hypersurfaces governing elementary gas-phase
    chemical reactions;
(3) problems in physical organic chemistry, including carbenes and
    biradicals;
(4) hydrogen-bonded systems.

QUALIFICATIONS: Applicants should have completed their junior
undergraduate year and have outstanding academic credentials.
Successful candidates invariably have an interest in pursuing Ph.D.
studies in theoretical physical chemistry in the United States.

STIPENDS: $1300 per month for a 10-12 week period.  Up to $400 in travel
assistance will be provided.

APPLICATION DEADLINE: April 1, 1993

   Send Resume, Academic Transcript and Two Letters of Reference to:

                        T. Daniel Crawford
             Center for Computational Quantum Chemistry
                     The University of Georgia
                     Athens, Georgia 30602-2556

Note: Resumes will be accepted via E-mail; transcripts and letters of
reference must be sent via U.S. mail.

For e-mail replys and further information, write to:

           crawdad%sherman.ccqc.uga….@athena.cs.uga.edu

Keywords:

        The e- config. of Cr is [Ar]3d54s1, while it would be expected to
be [Ar]3d44s2.  This is so the 3d orbital can be half-filled, which is more
stable, apparently, than 4/10 filled.  Why is a half filled shell more
stable?  It seems intuitive, but intuition is pretty worthless inside an
atom.

        Dave

Help please,
I would like to know a method of calculating
the time it would take water to evaporate
in a given temp and humidity.
anyone have an equation or table or something
of the sorts.  Answers and Pointers
welcomed at: C…@athena.mit.edu

Thanks a million!!!

Derek

——————————————————————-
"He lived a life of going-to-do,
   and died with nothing done"            
                -J. Albery          

In other words—JUST DO IT!

        HO-(CH2)x-Ar-(CH2)x-OH  and     Cl-CO-Ar-CO-Cl

where x=1,2,3,4 and Ar is any of various aromatic groups, as monomers for condensation polymerzations. i know that the dibromo compounds for many of the aromatic groups i want to use are available. can anyone give me detailed information (read:book/literature references) on this problem?        

thanks in advance,
mark

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
mark alan matties                       u of akron
ma…@iris.polymer.uakron.edu              dept of polymer science
"aoibheann beatha an scola/ire"               akron, ohio, usa
—

Hi:
     If somebody know about the existence and availability on the net
(first preference) or as PC software (second preference) of databases
summarizing information in some of the following scientific branches:

     - mineralogy;
     - inorganic chemistry (i.e. GMELIN);
     - crystallography (i.e. JCPDS);
     - thermodynamic properties (i.e. JANAF);

or something similar please post or reply by e-mail.
     I promise to make summary of all replies and post it back.

Best regards

     Alex Haralampiev
——————————————————————–
Department of Geology                              tel. 513/556-3732
University of Cincinnati                           fax  513/556-6931
Cinncinnati, OH 45221-0013          e-mail HARAL…@UCBEH.SAN.UC.EDU
——————————————————————–

Hello Macros!

29 Nov 92 17:36, Macros D. wrote to All:

 MD>    I’m looking for a new game , any suggestions? It dosen’t have to be
 MD> new I just want a great game, not too easy and not too short.

King’s Quest VI. It gave me sort’ve a challenge.

Star Control II. I am getting it soon. Should be one heck of a game.

If you are into sports games…

Mike Ditka’s Ultimate Football – awesome!

4d Boxing – OK.

There are many games out there. You should go and take a look for yourself.

Kyle

 * Origin: TechnoPoint – Maurice, LA (1:3803/3.2)