From owner-chemistry@ccl.net Thu Oct 14 05:10:00 2010
From: "Mikko Vainio mikko.vainio/a\visipoint.fi" <owner-chemistry(a)server.ccl.net>
To: CCL
Subject: CCL: VisiScreener v1.0 available
Message-Id: <-42951-101014050741-17791-u3mJlqaW0h+vwaGqKTlRPA(a)server.ccl.net>
X-Original-From: Mikko Vainio <mikko.vainio|visipoint.fi>
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Date: Thu, 14 Oct 2010 12:07:26 +0300
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Sent to CCL by: Mikko Vainio [mikko.vainio . visipoint.fi]
  Dear CCLers,

Visipoint Ltd has released VisiScreener, a ligand-based virtual 
screening software based on superimposition and similarity analysis of 
molecular interaction fields (MIFs).

VisiScreener features a graphical user interface to aid in the setup and 
monitoring of screening jobs, a database backend for storing molecular 
structures and screening results, and a Self-Organizing Map for 
clustering superimposed MIFs.

Get your copy of VisiScreener with a two-week fully functional trial 
license at
http://www.visipoint.fi/visiscreener.php

Sincerely,

Mikko Vainio, Ph.D.

Software Development Manager

Visipoint Ltd.
Lemminkäisenkatu 14-16 C
FI-20520 Turku
FINLAND

phone: +358-(0)10-666 3584
email: mikko.vainio()visipoint.fi
www.visipoint.fi
phone: +358-(0)10-666 3580


From owner-chemistry@ccl.net Thu Oct 14 13:12:00 2010
From: "S Padro lcqsigi,+,hotmail.com" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL:G: SERS on Quantum Chemistry Packages
Message-Id: <-42952-101014121435-7522-zubeHS/6ydLq9H8c6YG/9A*server.ccl.net>
X-Original-From: "S  Padro" <lcqsigi()hotmail.com>
Date: Thu, 14 Oct 2010 12:14:34 -0400


Sent to CCL by: "S  Padro" [lcqsigi\a/hotmail.com]
Dear CCLers,

Is there any free "quantum chemistry" code that can do Surface Enhanced Raman Spectroscopy (SERS)? I know that Gaussian09 and Turbomole can do this, but you have to pay $$$ for them. Are there other computational chemistry codes that can do SERS also?

Thanks,
S. Padro