Multiwfn forum

taha55

Member

Registered: 2019-09-19

Posts: 37

multiwfn manual for reference

Hello Professsor Tian Lu

I want to use some information in your multiwfn manual in my article. Can you suggest an your article that I will give reference my article?

Best Regard

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: multiwfn manual for reference

You can use any part of the Multiwfn manual in your article as long as the Multiwfn manual is properly cited in your article.

If you would like to cite some of my works, please show me more information about you study, so that I can recommend you proper papers.

taha55

Member

Registered: 2019-09-19

Posts: 37

Re: multiwfn manual for reference

Thank you for reply Professsor Tian Lu. Do you have an article about ICSS and NICS calculating (section ''4.200.4 Study iso-chemical shielding surface (ICSS) and magnetic shielding distribution' in multiwfn manual')?

Best Regard

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: multiwfn manual for reference

Last year I published a work about cyclo[18]carbon, which is a quite interesting chemical system and experimentally observed very recently. ICSS was used to analyze its aromaticity:
Tian Lu,* Qinxue Chen, Zeyu Liu, A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties, ChemRxiv (2019) DOI: 10.26434/chemrxiv.11320130
PS: This paper illustrates what analyses that Multiwfn can do for a novel chemical substance with unusual electronic structure.

In addition, recently my collaborator and me published a paper about aromaticity of large ring system, in which ICSS analysis was employed:
J. Phys. Chem. C 2019, 123, 18593?18599

taha55

Member

Registered: 2019-09-19

Posts: 37

Re: multiwfn manual for reference

Thank you very much Professsor Tian Lu