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Matter Modeling

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Answer a question more than 60 days later with score of 5 or more. This badge can be awarded multiple times.

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Recommended code to do XAS/XES/RIXS calculations with?
Awarded Mar 22, 2022 at 0:33
Is it right to neglect very small imaginary frequencies?
Awarded Feb 12, 2022 at 23:05
Understanding emission spectra using TDDFT calculation
Awarded Aug 16, 2021 at 22:56
How can I quantify the uncertainty of thermal molecule properties in molecular dynamics simulations?
Awarded Aug 16, 2021 at 7:05
Can we assume that the intraceullular pH and intermembrane pH are the same when calculating the protonation state of a protein subunit?
Awarded Jul 8, 2021 at 18:42

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