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Molecular Simulation Volume 31, 2005 - Issue 4
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Original Articles

Molecular dynamics simulations of noble gases encapsulated in C60 Fullerene

W. Even Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA, 70803-4001, USA
,
J. Smith Present address, Sandia National Laboratories, Albuquerque, NM, 87185, USA
&
M.W. Roth Department of Physics, University of Northern Iowa, Cedar Falls, IA, 50614, USACorrespondence[email protected]
Pages 207-213 | Received 01 Oct 2004, Accepted 01 Nov 2004, Published online: 19 Aug 2006

Citations (14)

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Read on this site (3)

VictorB. Luzhkov. (2012) Free-energy molecular simulations of the inclusion complex of Ne with fullerene C60 in water. Molecular Simulation 38:4, pages 326-332.
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Z.Y. Wang, K.H. Su, H.Q. Fan, Y.L. Li & Z.Y. Wen. (2008) Mechanical and electronic properties of endofullerene Ne@C60 studied via structure distortions. Molecular Physics 106:5, pages 703-716.
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P. Tilton, B. Suchy, M. K. Balasubramanya & M. W. Roth. (2007) Simulated dynamics of Ne@C60 aggregates beyond dissociation. Molecular Simulation 33:11, pages 945-952.
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Articles from other publishers (11)

P. C. Deshmukh, J. Jose, H. R. Varma & S. T. Manson. (2021) Electronic structure and dynamics of confined atoms. The European Physical Journal D 75:6.
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George Razvan BacanuJyrki RantaharjuGabriela HoffmanMark C. WalkeySally BloodworthMaria ConcistrèRichard J. WhitbyMalcolm H. Levitt. (2020) An Internuclear J -Coupling of 3 He Induced by Molecular Confinement . Journal of the American Chemical Society 142:40, pages 16926-16929.
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Said Jalife, Jessica Arcudia, Sudip Pan & Gabriel Merino. (2020) Noble gas endohedral fullerenes. Chemical Science 11:26, pages 6642-6652.
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Km Akanksha Dubey, Shweta Agrawal, T Rajagopala Rao & Jobin Jose. (2019) A theoretical investigation of elastic scattering of H atom by C 60 and Kr@C 60 . Journal of Physics B: Atomic, Molecular and Optical Physics 52:3, pages 035203.
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Ronald G. Lawler. 2017. Endohedral Fullerenes: Electron Transfer and Spin. Endohedral Fullerenes: Electron Transfer and Spin 229 263 .
Denis Sh. Sabirov, Anton O. Terentyev & Viacheslav I. Sokolov. (2016) Activation energies and information entropies of helium penetration through fullerene walls. Insights into the formation of endofullerenes nX@C 60/70 (n = 1 and 2) from the information entropy approach . RSC Advances 6:76, pages 72230-72237.
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A. Rodríguez-Fortea, N. Alegret & J.M. Poblet. 2013. Comprehensive Inorganic Chemistry II. Comprehensive Inorganic Chemistry II 907 924 .
Hossein A. Dabbagh, Mehdi Zamani & Hossein Farrokhpour. (2012) DFT investigation of endohedral boron oxide nanocapsules: Encapsulation of He, Ne, Ar, H, N, and Cl atoms. Chemical Physics 393:1, pages 86-95.
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Helena Dodziuk. 2011. The Mathematics and Topology of Fullerenes. The Mathematics and Topology of Fullerenes 117 151 .
Zhi-Yin Wang, Ke-He Su, Xiao-Ping Yao, Yu-Long Li & Fang Wang. (2010) Mechanical and electronic properties of endofullerene Ar@C60 and Kr@C60 studied via structure distortions. Materials Chemistry and Physics 119:3, pages 406-417.
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Victor V. Albert, John R. Sabin & Frank E. Harris. (2007) Simulated structure and energetics of endohedral complexes of noble gas atoms in buckminsterfullerene. International Journal of Quantum Chemistry 107:15, pages 3061-3066.
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