Zobrazeno 1 - 10
of 86
pro vyhledávání: '"Pei-Lin Cao"'
Publikováno v:
Journal of Chemical Physics; 6/8/1999, Vol. 110 Issue 22, p10738, 8p, 23 Diagrams, 5 Charts
Autor:
Bin Song, Pei-Lin Cao
Publikováno v:
Physics Letters A. 366:324-331
The geometrical and electronic properties of GanN2 ( n = 1 – 18 ) clusters have been investigated using the density functional theory within the generalized gradient approximation. The lowest-energy structures of these clusters have been obtained,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f5846f776f31d0682b59e6919dbf139d
https://doi.org/10.1016/j.physleta.2007.02.036
https://doi.org/10.1016/j.physleta.2007.02.036
Publikováno v:
Physics Letters A. 349:224-229
We have investigated the structures and energies of Ga 8 As 8 clusters using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations. 10 stable structures were obtained for Ga 8 As 8 clusters including the ring structure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f99cc3483a3123516540ccd87a0b87e3
https://doi.org/10.1016/j.physleta.2005.08.055
https://doi.org/10.1016/j.physleta.2005.08.055
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 728:215-223
Using the full-potential linear-muffin-tin-orbital molecular-dynamics method, we have performed calculations on the structures of nonstoichoimetric AlxNy (x+y=6–9) clusters. The lowest energy structures of these clusters are obtained. The stabiliti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bbe1957b5f03d559242c125aea0c47a6
https://doi.org/10.1016/j.theochem.2005.05.026
https://doi.org/10.1016/j.theochem.2005.05.026
Publikováno v:
Physics Letters A. 341:177-183
The low-lying energy structures of Al 20 cluster are obtained by full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method. A set of new low-lying energy structures including a new lowest energy structure, were found in our calc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3aa6bc0548d8766787dabc3ec48c3130
https://doi.org/10.1016/j.physleta.2005.05.001
https://doi.org/10.1016/j.physleta.2005.05.001
Autor:
Bao-xing Li, Pei-Lin Cao
Publikováno v:
Physics Letters A. 330:299-306
Using improved full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have investigated the adsorption of free Si n clusters ( n = 5 – 7 ) on Si(100)– 2 × 1 surface. After adsorbed, the geometric configurations of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e4df919a6fbb910ec068f8e38e7579b
https://doi.org/10.1016/j.physleta.2004.08.005
https://doi.org/10.1016/j.physleta.2004.08.005
Autor:
Pei-Lin Cao, Bin Song
Publikováno v:
Physics Letters A. 328:364-374
The geometric and electronic structures of Ga x N y ( x + y ⩽8) clusters have been calculated using a full-potential linear-muffin-tin-orbital method, combined with molecular dynamics and simulated annealing techniques. It is found that the structu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ddafe70ba6c62d996c0aa47c2d76f896
https://doi.org/10.1016/j.physleta.2004.06.032
https://doi.org/10.1016/j.physleta.2004.06.032
Autor:
Bao-xing Li, Pei-Lin Cao
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 679:127-130
Using full-potential linear-muffin-tin-orbital molecular-dynamics method, we have studied the geometric and electronic structures of short possible silicon nanotube consisting of silicon rings. All atoms in the ring structures have fourfold coordinat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a06b970c454797c690a60304ad13948
https://doi.org/10.1016/j.theochem.2004.04.014
https://doi.org/10.1016/j.theochem.2004.04.014
Publikováno v:
Physica B: Condensed Matter. 337:69-78
Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of Ge 20 cluster. It is found that its ground-state structure is a new stacked structure, with D 2d s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a78df3b6689e2d225345a26f849fe3df
https://doi.org/10.1016/s0921-4526(03)00350-8
https://doi.org/10.1016/s0921-4526(03)00350-8
Publikováno v:
Physics Letters A. 316:252-260
Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method based on single-parent evolution algorithm, we have investigated the geometric and electronic structures of neutral medium-sized Si n ( n =11–25) clusters. Some n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::131d318265033f1c71ee54bb15441f49
https://doi.org/10.1016/s0375-9601(03)01173-3
https://doi.org/10.1016/s0375-9601(03)01173-3