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THE AB INITIO CALCULATION FOR THE BONDING STATE OF THE H_n CTUSTERS 被引量:1
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作者 liang-momei GuanPeng 《原子与分子物理学报》 CAS CSCD 北大核心 1990年第4期1585-1589,共5页
The equilibrium geometries of several Hn(n=4,5,6,7,9,13) clsters with certain symmetry have been optimized by the ab inito Murtaug-Sargent(MS) method.We find that the stability of a centered cluster depends on the ... The equilibrium geometries of several Hn(n=4,5,6,7,9,13) clsters with certain symmetry have been optimized by the ab inito Murtaug-Sargent(MS) method.We find that the stability of a centered cluster depends on the structure,the spin symmetry and the coordinate number,and the latter plays a more important role. 展开更多
关键词 分子 Hn聚类 束缚态 量子化学
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