Isolated pentagon rule violating endohedral metallofullerenes explained using the Hückel rule: A statistical mechanical study of the C84Isomeric Set
Author:
Affiliation:
1. Department of Chemistry; Radford University; Box 6949 Radford Virginia 24142
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference27 articles.
1. C60: Buckminsterfullerene
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1. Theoretical Study on the Structure and Spectral Properties of Several Classical C84 Isomers and Their Newly Synthesized Derivatives;The Journal of Physical Chemistry A;2023-06-27
2. Temperature Dependent Stabilities of the C32 and K@C32, Ca@C32 and Sc@C32 Endohedral Metallofullerene Isomeric Set;Chemical Data Collections;2020-08
3. M@C50 as Higher Intermediates towards Large Endohedral Metallofullerenes: Theoretical Characterization, Aromatic and Bonding Properties from Relativistic DFT Calculations;The Journal of Physical Chemistry C;2018-12-26
4. Accurate Thermochemical and Kinetic Stabilities of C84 Isomers;The Journal of Physical Chemistry A;2018-04-24
5. Properties of the Only Thorium Fullerene, Th@C84, Uncovered;The Journal of Physical Chemistry A;2017-04-13
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