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#1 Re: Multiwfn and wavefunction analysis » CDFT » 2021-03-30 14:20:20

Thanks a lot sir! Those were helpful.
Would you please let me know if there is a method available for computing the pKb values of inorganic bases like K2CO3 or K3PO4 theoretically ? Thanks in advance!

#2 Multiwfn and wavefunction analysis » CDFT » 2021-03-24 02:51:12

MayukhMajumder
Replies: 3

Can you please tell me what is the physical interpretation of local softness, electrophilicity and fukui function? And what does Shanon entropy signifies?

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