Ab initio computations for the modelling of aromatic polymers

被引：0
|
作者：
Jaffe, R.L.
Komornicki, A.
Scheinder, A.C.
McLean, A.D.
Matsuda, T.
Yoon, D.Y.
机构：
来源：
Polymer Preprints, Division of Polymer Chemistry, American Chemical Society | 1992年 / 33卷 / 01期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [41] Molecular characterization of polymers by ab initio statistical mechanics
    Department of Applied Chemistry and Biotechnology, Faculty of Engineering, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522, Japan
    Kobunshi Ronbunshu, 5 (198-212):
  • [42] Combining ab initio and ab initio molecular dynamics simulations to predict the complex refractive indices of organic polymers
    Wang, Chengchao
    Li, Xiaoning
    Liu, Linhua
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 25 (06) : 4950 - 4958
  • [43] Ab initio modelling of the mass spectroscopic fragmentation of pyridazine
    Billes, F
    Klostermann, K
    ACH-MODELS IN CHEMISTRY, 1997, 134 (2-3): : 199 - 217
  • [44] Ab initio modelling of boron and nitrogen in diamond nanowires
    Barnard, AS
    Russo, SP
    Snook, IK
    PHILOSOPHICAL MAGAZINE, 2003, 83 (19) : 2301 - 2309
  • [45] Ab-initio modelling of stainless steels seizing
    Tsobnang, F
    Lado, I
    Chédru, M
    Le Méhauté, A
    MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2002, 324 (1-2): : 261 - 263
  • [46] Ab initio modelling of methane hydrate thermophysical properties
    Jendi, Z. M.
    Servio, P.
    Rey, A. D.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (15) : 10320 - 10328
  • [47] Ab initio based multiscale modelling for materials science
    Makov, G.
    Gattinoni, C.
    De Vita, A.
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2009, 17 (08)
  • [48] Ab initio modelling of dopants in diamond nanowires:: II
    Barnard, AS
    Russo, SP
    Snook, IK
    PHILOSOPHICAL MAGAZINE, 2003, 83 (19) : 2311 - 2321
  • [49] Ab initio modelling of band states in doped diamond
    Barnard, AS
    Russo, SP
    Snook, IK
    PHILOSOPHICAL MAGAZINE, 2003, 83 (09) : 1163 - 1174
  • [50] Ab initio modelling of the stability of nanocrystalline diamond morphologies
    Barnard, AS
    Russo, SP
    Snook, IK
    PHILOSOPHICAL MAGAZINE LETTERS, 2003, 83 (01) : 39 - 45
12345