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#1 2024-08-30 18:04:50
- Driss
- Member
- Registered: 2024-07-26
- Posts: 3
Theoretical calculation at high pressures with xp-pcm model
Dear Dr. Tian,
Is there a simple program or script to perform theoretical calculations at high pressures using the XP-PCM model?
Thank you.
Last edited by Driss (2024-08-30 20:09:30)
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#2 2024-08-31 00:48:03
Re: Theoretical calculation at high pressures with xp-pcm model
It seems that the GOSTSHYP method implemented in Q-Chem is able to realize similar purpose of XP-PCM. I am not aware of which public program is able to realize XP-PCM, I suggest you contacting the method author.
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