From owner-chemistry@ccl.net Sun Aug 13 01:51:01 2006
From: "Bingxing Wang wangbx!A!dicp.ac.cn" <owner-chemistry^server.ccl.net>
To: CCL
Subject: CCL: TheRate program to calculate the reaction rate
Message-Id: <-32384-060813014727-29026-xYRX9frJVm2UE4C0As6OmQ^server.ccl.net>
X-Original-From: "Bingxing Wang" <wangbx(_)dicp.ac.cn>
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Date: Sun, 13 Aug 2006 13:47:14 +0800
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Sent to CCL by: "Bingxing Wang" [wangbx-*-dicp.ac.cn]
Dear cclers:
   This ccl is really very helpful. I have learnt a lot from it. I want to calculate the rate coefficient. I know there is a program which can do this job, named TheRate program. If some of you have information about it, please let me know. I would like to know how to get this progam. 
   Thank you very much!
 
 
With best regards,
Sincerely yours,
Bingxing Wang
2006-08-13
 
email: wangbx_-_dicp.ac.cn


From owner-chemistry@ccl.net Sun Aug 13 11:27:01 2006
From: "JAMES VIVIAN jamestvivian:+:msn.com" <owner-chemistry ~~ server.ccl.net>
To: CCL
Subject: CCL: TheRate program to calculate the reaction rate
Message-Id: <-32385-060813105652-19805-1FXYyOtO7JikagLHJh4orQ ~~ server.ccl.net>
X-Original-From: "JAMES VIVIAN" <jamestvivian**msn.com>
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Date: Sun, 13 Aug 2006 10:56:44 -0400
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Sent to CCL by: "JAMES VIVIAN" [jamestvivian^_^msn.com]


TheRate is a product of the Truong group at the Univ. of Utah (I believe 
that Wendell Duncan wrote the GUI as primary developer.)

cf.  http://truong.hec.utah.edu/

It's probably available for download (free).  Probably best to contact Thanh 
directly.

Wendell T. Duncan, Robert L. Bell, Thanh N. Truong: TheRate: Program for ab 
initio direct dynamics calculations of thermal and 
vibrational-state-selected rate constants. Journal of Computational 
Chemistry 19(9): 1039-1052 (1998)
________________________________________





>From: "Bingxing Wang wangbx!A!dicp.ac.cn" <owner-chemistry * ccl.net>
>Reply-To: "CCL Subscribers" <chemistry * ccl.net>
>To: "Vivian, James T " <jamestvivian * msn.com>
>Subject: CCL: TheRate program to calculate the reaction rate
>Date: Sun, 13 Aug 2006 02:10:50 -0400
>
>Sent to CCL by: "Bingxing Wang" [wangbx-*-dicp.ac.cn]
>Dear cclers:
>    This ccl is really very helpful. I have learnt a lot from it. I want to 
>calculate the rate coefficient. I know there is a program which can do this 
>job, named TheRate program. If some of you have information about it, 
>please let me know. I would like to know how to get this progam.
>    Thank you very much!
>
>
>With best regards,
>Sincerely yours,
>Bingxing Wang
>2006-08-13
>
>email: wangbx]_[dicp.ac.cn>
>
>