From owner-chemistry@ccl.net Sun Aug 16 03:09:01 2009
From: "Rosa Weber rosa.weber,,scienomics.com" <owner-chemistry-$-server.ccl.net>
To: CCL
Subject: CCL: SciMeeting2009
Message-Id: <-40010-090814065246-10311-K86XYclLLZxzgwf7J45b0Q-$-server.ccl.net>
X-Original-From: "Rosa Weber" <rosa.weber{:}scienomics.com>
Content-Language: de
Content-Transfer-Encoding: 7bit
Content-Type: text/plain;
	charset="US-ASCII"
Date: Fri, 14 Aug 2009 12:08:34 +0200
MIME-Version: 1.0


Sent to CCL by: "Rosa Weber" [rosa.weber,,scienomics.com]

Dear Colleagues,
Scienomics cordially invites you to participate in the Scienomics Worldwide
meeting 2009, SciMeeting2009, to be held in Paris, on the 17th - 18th of
November 2009.

This meeting will combine scientific presentations, user exchanges, training
and consortium communications. Scienomics provides software technology that
helps organizations to use simulation technology in their R&D activities as
a tool for efficient product and process design and development.

Scienomics' simulation platform MAPS is the result of 5 years of research
and development covering today efficiently the areas of quantum, classical
and mesoscale simulations. The quality of the simulation techniques
implemented in MAPS has been testified by the constantly increasing number
of users as well as by the numerous applications presented in the various
Scienomics events.

MAPS clearly delivers to its users state-of-the-art simulation techniques in
materials science and thermodynamic modeling. In coming November Scienomics
will be releasing MAPS 3.2 with ground breaking new technology.
This will include :

    * A database system to store molecular structures and the results of
simulations performed
    * A better way of handling the results of simulations in MAPS together
with drag-and-drop repetition of a computational experiment
    * A QSAR tool with about 3200 descriptors and clustering
    * Implementation of a configurational bias algorithm in Amorphous
Builder which allows to build amorphous systems with constraints (for
example, to fill the space between two crystal surfaces with an amorphous
system) and will improve in general the quality of the generated structures
    * Support for non-orthogonal cells in Amorphous Builder
    * Support for pharmaceuticals in SciTherm
    * Additional build functions: fuse and connect
    * Additional force fields: Trappe

MAPS 3.2 will be presented at the SciMeeting2009, with a focus on industrial
applications. Featured industrial and academic speakers will present
exciting applications..."An agenda will be published soon".

Who should attend this meeting?
Molecular modelers, analytical chemists and chemical engineers interested in
molecular modeling solutions from the fields of:

    * Chemical industry
    * Petrochemical industry
    * Oil and Gas industry
    * Home and personal care industry
    * Transport and defense industry
    * Drug release and pharmaceutical industry

Registration
There is a registration fee of 120 Euros.
Participants are responsible for their own travel and accomondation
expenses.
To register for this meeting, please go to
http://www.scienomics.com/contact/webinar/scimeeting.php

____________________________________________________________________________
____________________________________________________________________________
_________
Im Spaehenfelde 51, * 44143 * Dortmund * Germany
Tel.: + 49 231 135 8088 * Fax :+ 0049 231 1385243
Email Id: rosa.weber_._scienomics.com


From owner-chemistry@ccl.net Sun Aug 16 21:27:00 2009
From: "TAMER sabry El-Shazly t_sabry2005-*-hotmail.com" <owner-chemistry^^server.ccl.net>
To: CCL
Subject: CCL:G: help needed
Message-Id: <-40011-090816212218-22438-dDy4Gy3Qu10Luiyeg/q9Ng^^server.ccl.net>
X-Original-From: "TAMER sabry El-Shazly" <t_sabry2005%%hotmail.com>
Date: Sun, 16 Aug 2009 21:22:15 -0400


Sent to CCL by: "TAMER sabry El-Shazly" [t_sabry2005__hotmail.com]
Dear sir
kindly to help by providing how can i obtain the polarizability value in esu from the outpot of gaussian o3 in order to check the NLO(non linear optics) response 
your fast reply will be appreciated
thanks so much
tamer