Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

You are not logged in.

#1 2018-05-20 15:17:56

I_was_a_baby
Member
Registered: 2017-09-11
Posts: 21

C6H6 and B3N3H6 Aromatic Rings with doping alkali metal atom

Theoretical Research of C6H6 and B3N3H6 Aromatic Rings with doping alkali metal atom

By I_was_a_baby

Abstract: a series of NLO clusters have been designed by C6H6 and B3N3H6 with alkali metal atoms. Via analysis of a series of wavefunction analysis methods, it can be seen that doping alkali metal atoms can not only improve the nonlinear optical properties of the entire system, but also affect the properties of the doped aromatic system.

1.pdf

Offline

#2 2018-05-21 01:06:01

lonemen
Member
Registered: 2017-09-27
Posts: 2

Re: C6H6 and B3N3H6 Aromatic Rings with doping alkali metal atom

Thank you for your kind share!

I_was_a_baby wrote:

Theoretical Research of C6H6 and B3N3H6 Aromatic Rings with doping alkali metal atom

By I_was_a_baby

Abstract: a series of NLO clusters have been designed by C6H6 and B3N3H6 with alkali metal atoms. Via analysis of a series of wavefunction analysis methods, it can be seen that doping alkali metal atoms can not only improve the nonlinear optical properties of the entire system, but also affect the properties of the doped aromatic system.

1.pdf

Offline

#3 2018-05-22 14:12:33

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 80
Website

Re: C6H6 and B3N3H6 Aromatic Rings with doping alkali metal atom

The quality of RDG and IGM maps are nice

Offline

Board footer

Powered by FluxBB