Frenkel S. 分子模拟——从算法到应用 [M]. 汪文川, 译. 北京: 化学工业出版社, 2002: 120 -125. Frenkel S. Understanding molecular simulation——From algorithms to applications [M]. Wang Wenchun, trans. Beijing: Chemical Industry Press, 2002: 120 -125.
[4]
白新德, 蔡 俊, 尤引娟, 等. 纳米复合材料-石墨层间化合 物(GICs)的结构分析 [J]. 复合材料学报, 1996, 13(3): 53 -59. Bai Xinde, Cai Jun, You Yinjuan, et al. Nanometer-grade composite of intercalation compounds structure analysis of graphite intercalation compounds(GICs ) [J]. Acta Materiae Compositae Sinica, 1996, 13(3): 53 -59.
[5]
Tomalia D A, Naylor A M, Goddard W A. Starburst dendrimers: Molecular-level control of size, shape, surface, chemistry, topology, and flexibility from atoms to macroscopic matter [J]. Angew Chem Int Ed Engl, 1990, 29(1/2): 138 -175.
[6]
Braga S F, Galv o D S. Single wall carbon nanotubes polymerization under compression: An atomistic molecular dynamics study [J]. Chemical Physics Letters, 2006, 419(4/6): 394 -399.
[7]
Pérez-Mendoza M, Schumacher C, Surez-García F, et al. Analysis of the microporous texture of a glassy carbon by adsorption measurements and Monte Carlo simulation: Evolution with chemical and physical activation [J]. Carbon, 2006, 44(4): 638 -645.
Sun H. COMPASS: An ab initio force-field optimized for condensed-phase applications-overview with details on alkane and benzene compounds [J]. J Phys Chem B, 1998, 102(38): 7338 -7364.
[10]
孙万虹. 树状大分子的合成及其性质研究 . 兰州: 西北师范大学, 2005. Sun Wanhong. Synthesis and property study of the poly(Amidoamine) dendrimers . Lanzhou: Northwest Normal University, 2005.
[11]
Andersen H C. Molecular dynamics simulations at constant pressure and/or temperature [J]. J Chem Phys, 1980, 72(4): 2374 -2383.
[12]
Parrinello M, Rahman A. Strain fluctuations and elastic constants [J]. J Chem Phys, 1982, 76(5): 2662 -2666.
[13]
Theodorou D N, Suter U W. Atomistic modeling of mechanical properties of polymeric glasses [J]. Macromolecules, 1986, 19(1): 139 -154.