Multiwfn forum

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

New paper: Theoretical Exploration of Cyclo[18]carbon using Multiwfn

Dear all,

Recently I published a interesting work named "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" on ChemRxiv, seehttps://doi.org/10.26434/chemrxiv.11320130.v1

This work sufficiently employed Multiwfn and some other codes to study electronic structure and various molecular properties of the very intriguing and newly experimentally observed cyclo[18]carbon system, I strongly believe this work should be a nice example of employing Multiwfn to characterize various aspects of a novel chemical system. I sincerely recommend every Multiwfn user read this article.

Best regards,

Tian