From: |
Yubo Fan <yubofan;at;guomai.sh.cn> |
Date: |
Wed, 16 Jun 1999 08:15:33 +0800 |
Subject: |
How to scale the Entropy and Enthalpy? |
Dear CCLers,
I have done some freqency calculations recently and didn't add the scale
data in these input files. Now I should scale the thermal analysis datas
manually. How should I correct the entropies, enthalpies and free
energies?
Thank you very much. I am looking forward to receiving your reply.
With best regards
Y. Fan
--
=============================================================
Yubo Fan Email: yubofan -x- at -x- guomai.sh.cn
Organic Synthesis Lab
The Department of Chemistry
Fudan University Phone: 8621-65648139
No. 220 Handan Road Fax: 8621-65641740
Shanghai, 200433
P. R. China
=============================================================
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