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\begin{document}

\title{In-Silico Exploration of Noble Gas Dimer Enforced By Non-Covalent
Interaction}



\author[1]{Lakhya Mazumder}%
\author[1]{Farnaz Yashmin}%
\author[1]{Pankaz Sharma}%
\affil[1]{Cotton University}%


\vspace{-1em}



  
  \date{May 26, 2024}


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\begin{abstract}
Density functional calculations have been carried out to investigate the
possibility of trapping of noble gas dimers by cyclo{[}18{]}carbon
dimer. Parallel-displaced conformation of the cyclo{[}18{]}carbon dimer
is found to be the minimum energy structure. Non-covalent interaction is
found to hold the noble gas dimers. The lighter noble gases (He, Ne)
posses repulsive interactions, the heavier one (Ar, Kr) are held by
attractive interactions forming genuine bonds. Each of the noble gas
atoms in turn forms non-covalent interaction with the
cyclo{[}18{]}carbon monomers. The bond dissociation energy of the noble
gas dimers dramatically increases inside the cyclo{[}18{]}carbon dimer.
Energy decomposition analysis reveals that dispersion plays the major
role towards the stabilization energy.%
\end{abstract}%



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\textbf{Hosted file}

\verb`MS-IJQC.doc`  available at \url{https://authorea.com/users/391213/articles/568354-in-silico-exploration-of-noble-gas-dimer-enforced-by-non-covalent-interaction}

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