Simulations of Xe@C60collisions with graphitic films

Autor:	John R. Sabin, Frank E. Harris, Victor V. Albert
Rok vydání:	2008
Předmět:	Fullerene Graphene Noble gas chemistry.chemical_element Condensed Matter Physics Molecular physics Atomic and Molecular Physics and Optics law.invention chemistry.chemical_compound Molecular dynamics Buckminsterfullerene chemistry Computational chemistry law Graphite Physical and Theoretical Chemistry Carbon Quantum
Zdroj:	International Journal of Quantum Chemistry. 108:3010-3015
ISSN:	1097-461X 0020-7608
Popis:	Collisions between Xe@C60 and sheets of graphite of various dimensions were simulated. A Tersoff many-body potential modeled the interactions between carbon atoms and a Lennard-Jones potential simulated the xenon-carbon interactions. The simulations were compared to experiment and with simulations which implemented other potentials. The results indicate that a relatively small graphite film can be an accurate approximation for a nearly infinite sheet of graphite. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a4a19e594afff7bf52094de8303f70c0 https://doi.org/10.1002/qua.21836 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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