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#1 2023-10-18 06:39:21
- dampage
- Member
- Registered: 2023-10-18
- Posts: 2
PLOTS : HELP
Can you kindly guide in obtaining the following plots:
1. Photoelectron spectroscopy vs Binding Energy
2. Sensitivity of a (sensor) given the molecular structure
3. Recovery time of a (sensor) given the molecular structure
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#2 2023-10-21 17:53:42
Re: PLOTS : HELP
1 Please check Section 4.10.4 of Multiwfn manual on how to plot photoelectron spectrum
2 There is no unique definition of sensitivity, Multiwfn is unable to directly calculate it, but some atomic or molecular descriptors that supported by Multiwfn may have some relationship with sensitivity.
3 Multiwfn doesn't have a function to directly estimate recovery time. Perhaps you need to use molecular dynamics code to evaluate this quantity.
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