On The Validity of Minimum Magnetizability Principle in Chemical Reactions

On The Validity of Minimum Magnetizability Principle in Chemical Reactions

A new principle known as Minimum Magnetizability Principle has recently been introduced in the context of Density Functional Theory. In order to validate this principle, changes in the magnetizability (Δξ) and its cube-root (Δξ1/3) are computed at B3LYP/LanL2DZ level of theory for some elementary ch...

Full description

Bibliographic Details
Main Authors: Hiteshi Tandon, Tanmoy Chakraborty, Vandana Suhag
Format: Article
Language:English
Published: Slovenian Chemical Society 2021-03-01
Series:Acta Chimica Slovenica
Subjects:
density functional calculations
magnetic properties
maximum hardness principle (mhp)
minimum electrophilicity principle (mep)
minimum polarizability principle (mpp)
Online Access:https://journals.matheo.si/index.php/ACSi/article/view/6305

Internet

https://journals.matheo.si/index.php/ACSi/article/view/6305

Similar Items