Subject: the PC GAMESS version 6.0

From: [email-masked]
Date: Fri, 19 May 2000 14:22:24 +0400

Dear GAMESS users,

  We are glad to announce the new public release of the PC GAMESS, v. 6.0, which
is based on the newer official GAMESS sources.
  There are multiple enhancements, functional extensions, and performance
improvements incorporated into this latest PC GAMESS distribution as compared
with previous public PC GAMESS version 5.4 (the full list of  changes and new
features will be available from the PC GAMESS home  site at MSU within several
weeks).

  A few examples of the new features are as follows:

  We offer the full set of Pentium/Pentium Pro/Pentium II/Pentium III-
optimized native Linux SMP-aware PC GAMESS ELF binaries as a part of the PC
GAMESS distribution.
  New Pentium Pro/Pentium II/Pentium III-optimized OS/2-based SMP & JFS -
aware binaries are now available.
  Large files are supported via transparent file splitting on all 32-bit file
systems imposing 2 or 4 GB limit on the maximum file size.

For further information, see the URLs:
      http://classic.chem.msu.su/gran/gamess/index.html
      http://quantum-2.chem.msu.ru/gran/gamess/index.html

Yours Sincerely,
Alex Granovsky,
Laboratory of Chemical Cybernetics,
Moscow State University,
Moscow, Russia.

---

From: "Rolf Claessen" <[email-masked]>
Date: Fri, 19 May 2000 08:52:55 -0400

Dear Colleagues,

I am pretty new to the recent applications of statistical thermodynamics, so
excuse my simple question.

Could anyone point me to some references or ideas, how to construct a
partition function for organometallic complexes in solid and gas form? The
complexes are generally 1,3-diketonates and contain transition metals like
copper or cobalt. How do I model intermolecular interactions? Maybe
interesting: The bond character in these complexes is nearly covalent, not
ionic.

Regards,

Rolf Claessen

_______
Rolf U Claessen
Chem. Dept. SUNY Albany
Albany NY 12222
518 - 442 - 4887
[email-masked]