Difference between revisions of "Mod:Hunt Research Group:sigma hole multiwfn"
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| − | + | To find the Vs,max and Vs,min values of a molecule, you need a .fchk or a .wfn file. | |
| + | |||
| + | * Open Multiwfn and either drag and drop the file into its window or write its name with complete path and press Enter. | ||
| + | * Then write option 12 (Quantitative analysis of molecular surface) and press Enter. | ||
| + | * Then write 0 (Start analysis now!) | ||
Revision as of 23:55, 1 November 2024
To find the Vs,max and Vs,min values of a molecule, you need a .fchk or a .wfn file.
- Open Multiwfn and either drag and drop the file into its window or write its name with complete path and press Enter.
- Then write option 12 (Quantitative analysis of molecular surface) and press Enter.
- Then write 0 (Start analysis now!)
