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Ridft, Rdgrad, Dscf, Grad
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Energy decomposition analysis (EDA)
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Topic: Energy decomposition analysis (EDA) (Read 7548 times)
sareeya
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Energy decomposition analysis (EDA)
«
on:
February 19, 2017, 11:32:06 AM »
How can I perform the Energy decomposition analysis (EDA) with Turbomole??
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prasanta13
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Re: Energy decomposition analysis (EDA)
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Reply #1 on:
July 31, 2021, 05:26:27 PM »
I have not also performed, But the 6.7.1 section of the manual details the procedure.
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TURBOMOLE Users Forum
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Ridft, Rdgrad, Dscf, Grad
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Energy decomposition analysis (EDA)