Pr@C<sub>82</sub> Metallofullerene: Calculated Isomeric Populations

Pr@C<sub>82</sub> Metallofullerene: Calculated Isomeric Populations

Relative equilibrium populations of the five lowest-energy isolated-pentagon-rule (IPR) isomeric structures of Pr@C<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>82</...

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Bibliographic Details
Main Authors: Zdeněk Slanina, Filip Uhlík, Takeshi Akasaka, Xing Lu, Ludwik Adamowicz
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Inorganics
Subjects:
metallofullerenes
evaluations of isomeric populations
theory–experiment comparisons
quantum-chemical calculations
Online Access:https://www.mdpi.com/2304-6740/11/7/313

Internet

https://www.mdpi.com/2304-6740/11/7/313

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