Multiwfn forum

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

You are not logged in.

#1Re:Multiwfn and wavefunction analysis»Fukui function-values»2023-03-20 05:39:52

thank you, sir
I got more information from CDFT ( section 4.22.1)

#2Multiwfn and wavefunction analysis»Fukui function-values»2023-03-15 06:53:24

Raja@Chem
Replies: 2

Dear tian lu professor
I generated f- iso surface successfully based on manual section 4.5.4.1.
how can I get f- values. it is mandatory data for publication

thank you sir

#3Re:Multiwfn and wavefunction analysis»List of Multiwfn video tutorials»2022-12-30 07:19:35

Dear Prof Lu
we have utilized the Multiwfn program, sobtop and gained more knowledge

Thank you Dear Professor Tian Lu for your kind help.

we need videos of a new software
Molclus: A very easy-to-use program for searching cluster configurations and molecular conformations
concvar:A computer program for simulation of concentration variation of complex chemical reactions

videos are more easily understood than manual

if possible release videos on concvar and molclus

Regards
Raja Karreddula

#5Multiwfn and wavefunction analysis»USI & BNI calculation»2022-12-21 08:48:10

Raja@Chem
Replies: 2

[2022-May-14] The USI (ultra-strong interaction) index and BNI (bonding and noncovalent interaction) index proposed in J. Phys. Chem. A, 126, 2437−2444 (2022) has been added as user-defined functions 819 and 820 respectively. They are new tools for studying chemical bonds.


How can we do this sir

how can we go for 819, 820 function

Board footer

Powered byFluxBB

Baidu
map