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Items for Author "Payne, M. C."
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Showing 12 items.
Collection
Date
Title
Authors
Bitstream
[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.
[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
[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.
[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
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
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.
[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.
[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
1997-01
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
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
1996-11
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.
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