<b>An Overview of Basis Set Effects for Diatomic Boron Nitride Compounds (</b><b><i>B</i></b><b><sub>2</sub></b><b><i>N</i></b><b><sup>(</sup></b><b><sup>∓</sup></b><b><sup>,0)</sup></b><b>)</b>: A Quantum Symmetry Breaking

<b>An Overview of Basis Set Effects for Diatomic Boron Nitride Compounds (</b><b><i>B</i></b><b><sub>2</sub></b><b><i>N</i></b><b><sup>(</sup></b><b><sup>∓</sup></b><b><sup>,0)</sup></b><b>)</b>: A Quantum Symmetry Breaking

The symmetry breaking (SB) of <i>B</i><sub>2</sub> not only exhibits an energy barrier for ionic or neutral forms dependent on various basis sets but it also exhibits a few SBs due to the asymmetry stretching and bending mode interactions. SB obeys the mechanical quantum theo...

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Bibliographic Details
Main Authors: Majid Monajjemi, Fatemeh Mollaamin, Neda Samiei Soofi
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Quantum Reports
Subjects:
boron nitride cages
hyperfine properties
dipole moment
Chelp G
EPR-II and III
MESP (EP)
Online Access:https://www.mdpi.com/2624-960X/4/3/24

Internet

https://www.mdpi.com/2624-960X/4/3/24

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