Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 2024-01-10 16:43:25

Hamid
Member
Registered: 2024-01-09
Posts: 5

FLU reference parameter

What is the FLU reference parameter for C-P bond?

Offline

#2 2024-01-11 04:33:46

sobereva
Tian Lu (Multiwfn developer)
From: Athens, Greece
Registered: 2017-09-11
Posts: 2,265
Website

Re: FLU reference parameter

There is no C-P bond reference parameter available.
Note that FLU-pi doesn't require reference parameter, if the region of interest is planar, you may use FLU-pi instead.

Offline

#3 2024-01-11 12:57:34

Hamid
Member
Registered: 2024-01-09
Posts: 5

Re: FLU reference parameter

Thanks a lot.

Offline

#4 2026-07-07 18:29:03

Hamid
Member
Registered: 2024-01-09
Posts: 5

Re: FLU reference parameter

how can calculate EDDB index by Multiwfn?

Offline

#5 2026-07-07 22:04:42

sobereva
Tian Lu (Multiwfn developer)
From: Athens, Greece
Registered: 2017-09-11
Posts: 2,265
Website

Re: FLU reference parameter

Hamid wrote:

how can calculate EDDB index by Multiwfn?

Multiwfn doesn't support it, but may support it in the future (not near future)

Offline

#6 2026-07-09 13:15:48

Hamid
Member
Registered: 2024-01-09
Posts: 5

Re: FLU reference parameter

thanks

Offline

#7 Yesterday 13:43:55

Hamid
Member
Registered: 2024-01-09
Posts: 5

Re: FLU reference parameter

how can calculated FLU index for excited state (triplet)?

Offline

Board footer

Powered by FluxBB