CO<sub>2</sub>@C<sub>84</sub>: DFT Calculations of Structure and Energetics

CO<sub>2</sub>@C<sub>84</sub>: DFT Calculations of Structure and Energetics

Encapsulations of carbon dioxide into <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mi>D</mi><mn>2</mn></msub></semantics></math></inline-formula>(22)-<...

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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 2025-01-01
Series:Inorganics
Subjects:
metallic and non-metallic endohedrals
fullerene encapsulation
stability calculations
theory–experiment comparison
Online Access:https://www.mdpi.com/2304-6740/13/1/19
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