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Molecular Simulation Volume 32, 2006 - Issue 8
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Original Articles

Fully exohydrogenated Si60 fullerene cage

L. Wang State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, 310027, People's Republic of China
,
D. Li State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, 310027, People's Republic of China
&
D. Yang State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, 310027, People's Republic of ChinaCorrespondence[email protected]
Pages 663-666 | Received 01 Mar 2006, Accepted 01 May 2006, Published online: 31 Jan 2007

Citations (17)

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Read on this site (2)

Lei Wang & Deren Yang. (2010) Si60 fullerene-like cage passivated by F and Cl. Molecular Simulation 36:6, pages 493-495.
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H. Shen. (2007) Thermal-stability and tensile properties of two single-walled Si–H nanotubes. Molecular Simulation 33:11, pages 939-944.
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Articles from other publishers (15)

Hussain J. Alathlawi, Noura D. Alkhaldi & Muhammad N. Huda. (2020) Effects of Hydrogen Passivation on Fullerene-Derived Si30C30 Clusters. Frontiers in Materials 7.
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D. Pukazhselvan, K.S. Sandhya & Duncan Paul Fagg. 2020. Nanomaterials for Sustainable Energy and Environmental Remediation. Nanomaterials for Sustainable Energy and Environmental Remediation 97 163 .
Maryam Anafcheh, Fereshteh Naderi, Zahra Khodadadi, Fatemeh Ektefa & Reza Ghafouri. (2018) Exploring Adjacent Pentagons in Non-IPR and SW Defective Si60 and Si70 Silicon Fullerenes: a Computational Study. Silicon 11:1, pages 323-329.
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Maryam Anafcheh, Fereshteh Naderi & Reza Ghafouri. (2017) Hydrogen-abstraction reactions of fully hydrogenated silicon fullerene cages with the amino radical: a density functional study. Structural Chemistry 29:2, pages 607-614.
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Edan Bainglass, Cedric L. Mayfield & Muhammad N. Huda. (2017) Weakening of Si Si bonding in exohydrogenated Si60 nanoclusters. Chemical Physics Letters 684, pages 60-66.
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Ana Martínez. (2016) Reactivity Indexes of Fullerene and Bismullene Mixed Clusters: How the Intruders Modify the Properties. The Journal of Physical Chemistry A 120:43, pages 8680-8685.
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Reza Ghafouri & Fatemeh Ektefa. (2016) Exploring the Mechanism of Reactions of SiX3 and CX3 Radicals with Si20X20 Fullerenes (X = H, F): A Density Functional Study. Journal of Cluster Science 27:5, pages 1719-1728.
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Reza Ghafouri, Maryam Anafcheh & Mansour Zahedi. (2013) Fully and partially exohydrogenated Si80 fullerene cage: a DFT study. Structural Chemistry 25:2, pages 575-581.
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Maryam Anafcheh & Reza Ghafouri. (2013) (SiH)48X12 Heterofullerenes with the Group III and V Dopants: A DFT Prediction of Geometry, Stability, and Electronic Structure. Journal of Cluster Science 25:2, pages 505-515.
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Maryam Anafcheh & Reza Ghafouri. (2013) Evaluation of on-cage phosphorus doping of hydrogenated silicon fullerenes: a computational study. Structural Chemistry 25:1, pages 37-42.
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Aristides D. Zdetsis. (2010) Theoretical Predictions of a New Family of Stable Bismuth and Other Group 15 Fullerenes. The Journal of Physical Chemistry C 114:24, pages 10775-10781.
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Debashis Bandyopadhyay & Prasenjit Sen. (2010) Density Functional Investigation of Structure and Stability of Ge n and Ge n Ni ( n = 1−20) Clusters: Validity of the Electron Counting Rule . The Journal of Physical Chemistry A 114:4, pages 1835-1842.
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Aristides D. Zdetsis. (2009) Stabilization of large silicon fullerenes and related nanostructures through puckering and poly(oligo)merization. Physical Review B 80:19.
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Jianfeng Jia, Yan-Ni Lai, Hai-Shun Wu & Haijun Jiao. (2009) Structure and Stability of Tube and Cage (SiH) 60 . The Journal of Physical Chemistry C 113:17, pages 6887-6890.
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Sonali Barman, Prasenjit Sen & G. P. Das. (2008) Ti-Decorated Doped Silicon Fullerene: A Possible Hydrogen-Storage Material. The Journal of Physical Chemistry C 112:50, pages 19963-19968.
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