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    "Payne, M. C."的相关文件  

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    显示 12 项.

    类别 日期 题名 作者 档案
    [化學學系暨研究所] 期刊論文 1993-02 Optimized and transferable nonlocal separable ab initio pseudopotentials Lin, J. S.; Qteish, A.; Payne, M. C.; Heine, V.
    [化學學系暨研究所] 期刊論文 1993-05 Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali ions in silicon Milman, V.; Payne, M. C.; Heine, V.; Needs, R. J.; Lin, J. S.; Lee, M. H.
    [物理學系暨研究所] 會議論文 1994-12 Lagre scale atomic study of adsorption and surface diffusion Milman, V.; Jesson, D. E.; Pennycook, S. J.; Payne, M. C.; Stich, I.; Lee, M. H.
    [物理學系暨研究所] 期刊論文 1995-11-17 Orbital mixing in CO chemisorption on transition metal surfaces Hu, P.; King, D. A.; 李明憲; Lee, Ming-hsein; Payne, M. C.
    [化學學系暨研究所] 期刊論文 1996-01-01 First-principles study of the atomistic and electronic structure of the niobium--alumina (0001) interface10.1080/095008396180650 Kruse, C.; Finnis, N. W.; 林志興; Lin, Jyh-shing; Payne, M. C.; Milman, V.; Vita, A. De.; Gillan, M. J.
    [物理學系暨研究所] 期刊論文 1996-03 An ab initio approach to determining the parameters of the model hamiltonian H Fu, R.; Li, Ming-hsien; Payne, M. C.
    [物理學系暨研究所] 期刊論文 1996-03-08 Understanding the ctalytic behavior of zeolites : A first-principles study of the adsorption of methanol Shan, Rajiv; Payne, M. C.; 李明憲; Lee, M. H.; Gale, Julian D.
    [物理學系暨研究所] 期刊論文 1996-11 First-principles study of a tilt grain-boundary in rutile Dawson, I.; Bristowe, P. D.; Lee, M.-H.; Payne, M. C.; Segall, M. D.; White, J. A.
    [物理學系暨研究所] 期刊論文 1997-01 Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on Pt{100}-(1×1) Ge, Q.; Hu, P.; King, D. A.; 李明憲; Lee, M. H.; White, J. A.; Payne, M. C.
    [物理學系暨研究所] 期刊論文 1997-02-27 The GaAs(001)-(2x4) surface : structure, chemistry, and adsorbates Goringe, C. M.; Clark, L. J.; 李明憲; Lee, M. H.; Payne, M. C.; Stich, I.; White, J. A.; Gillan, M. J.; Sutton, A. P.
    [物理學系暨研究所] 期刊論文 1997-11-15 Ab initio diffusional potential energy surface for CO chemisorption on Pd{110} at high coverage: Coupled translation and rotation Hu, P.; King, D. A.; Crampin, S.; 李明憲; Lee, Ming-hsien; Payne, M. C.
    [化學學系暨研究所] 期刊論文 2000-12 Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach Pickard, Chris J.; Winkler, Bjorn; Chen, Roger K.; Payne, M. C.; Lee, M. H.; Lin, J. S.; White, J. A.; Milman, V.; Vanderbilt, David

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