From owner-chemistry -A_T- ccl.net Thu Sep 22 12:56:00 2011
From: "Jim Kress ccl_nospam:kressworks.com" <owner-chemistry+*+server.ccl.net>
To: CCL
Subject: CCL: IR/Raman Spectra of Minerals
Message-Id: <-45494-110922113900-7590-0doRIZALcrdAlcOSKjjT9A+*+server.ccl.net>
X-Original-From: "Jim Kress" <ccl_nospam(!)kressworks.com>
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Date: Thu, 22 Sep 2011 11:38:41 -0400
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Sent to CCL by: "Jim Kress" [ccl_nospam%x%kressworks.com]
I'd use ORCA

http://www.thch.uni-bonn.de/tc/orca/

Jim

> -----Original Message-----
> From: owner-chemistry+ccl_nospam==kressworks.com^^^ccl.net
> [mailto:owner-chemistry+ccl_nospam==kressworks.com^^^ccl.net] On Behalf
> Of Arindam Ganguly arindamganguly-x-gmail.com
> Sent: Thursday, September 22, 2011 11:06 AM
> To: Kress, Jim 
> Subject: CCL: IR/Raman Spectra of Minerals
> 
> 
> Sent to CCL by: "Arindam  Ganguly" [arindamganguly|a|gmail.com] Deal CCL
> Users, Good morning and hope this messages reaches you all well. Is anyone
> aware of a computaional tool to predict the IR/Raman spectra of Minerals.
> 
> I came across the following Caltech Database on Minerals
http://rruff.info/
> was looking for tools to predict the IR/Raman Spectra. Thank you.
> 
> Sincerely,
> ArindamTo
> recover the email address of the author of the message, please change the
> strange characters on the top line to the ^^^ sign. You can also look up the
X-
> Original-From: line in the mail header.>