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Interaction Between an Endohedral N Atom and a C60 Fullerene Cage by Density Functional Theory

机译：用密度泛函理论研究内嵌N原子与C60富勒烯笼的相互作用

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Xin Yue; Jijun Zhao; Ce Hao; Wenxiu Ren; Jieshan Qiu;
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年度 2011
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1. Interaction Between an Endohedral N Atom and a C-60 Fullerene Cage by Density Functional Theory [J] . Yue X, Zhao JJ, Hao C, Journal of computational and theoretical nanoscience . 2008,第7期

机译：利用密度泛函理论研究内表面N原子与C-60富勒烯笼的相互作用
2. Interaction of Impurity Atom with C_(60) Fullerene Cage: A Density Functional Theory (DFT) Analysis [J] . Sandeep Nigam, Chiranjib Majumder Journal of computational and theoretical nanoscience . 2009,第2期

机译：杂质原子与C_（60）富勒烯笼的相互作用：密度泛函理论（DFT）分析
3. Density Functional Theory and Grand Canonical Monte Carlo Simulations of the Hydrogen Storage Properties of Partially Truncated and Open Cage C60 Fullerenes [J] . LI Xiao-Dong, TANG Yong-Jian, CHENG Xin-Lu, 中国物理快报：英文版 . 2011,第011期

机译：部分截断和开放笼式C60富勒烯的储氢特性的密度泛函理论和大正则蒙特卡罗模拟
4. ORGANIC FUNCTIONALIZATION OF C60 TOWARD THE SYNTHESIS OF ENDOHEDRAL FULLERENE COMPLEXES [C] . Koichi Komatsu, Yasujiro Murata, Michihisa Murata, Electrochemical Society Annual Meeting . 2005

机译：C60对胚乳富勒烯络合物合成的有机官能化
5. Density functional study of fullerene-based solids: Crystal structure, doping, and electron-phonon interaction. [D] . Romero, Nichols Anthony. 2005

机译：富勒烯基固体的密度泛函研究：晶体结构，掺杂和电子-声子相互作用。
6. M2@C79N (M = Y Tb): Isolation and Characterization of Stable Endohedral Metallofullerenes Exhibiting M-M Bonding Interactions Inside Aza80Fullerene Cages [O] . Tianming Zuo, Liaosa Xu, Christine M. Beavers, -1

机译：M2 @ C79N（M = YTb）：具有氮杂80富勒烯笼中M-M键相互作用的稳定内表面金属富勒烯的分离和表征
7. Modifying the Fullerene Surface Using Endohedral Noble Gas Atoms: Density Functional Theory Based Molecular Dynamics Study of C₇₀O₃ [O] . Morrison, Carole, Bil, Andrzej 2012

机译：使用内嵌贵金属气体原子修饰富勒烯表面：基于密度泛函理论的C _{70 O _{3 的分子动力学研究}}

Interaction Between an Endohedral N Atom and a C60 Fullerene Cage by Density Functional Theory

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