Theoretical investigation of LaCn+ (n=2-8) clusters
文献类型：期刊论文
| 作者 | Wu ZJ ; Meng QB ; Zhang SY |
| 刊名 | chemical physics letters
 |
| 出版日期 | 1997 |
| 卷号 | 281期号:1-3页码:233-238 |
| 关键词 | DENSITY-FUNCTIONAL THEORY EXACT EXCHANGE |
| ISSN号 | 0009-2614 |
| 通讯作者 | wu zj |
| 中文摘要 | lacn+ (n = 2-8) have been studied using hartree-fock (hf) and b3lyp density functional method. the results indicated that at both levels, isomers with c-2v, c-s symmetry for n = 2, and edge insertion isomer for n = 4, 6, 8, as well as edge binding isomer for n = 3, 5, 7 were found as ground states. this is in good agreement with experimental results. the exceptional case is for n = 6 at b3lyp level, in which edge insertion and edge binding isomers were computed to be near isoenergetic. (c) 1997 elsevier science b.v. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000071256600035 |
| 公开日期 | 2010-12-22 |
| 源URL | [http://202.98.16.49/handle/322003/23865]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wu ZJ,Meng QB,Zhang SY. Theoretical investigation of LaCn+ (n=2-8) clusters[J]. chemical physics letters,1997,281(1-3):233-238. |
| APA | Wu ZJ,Meng QB,&Zhang SY.(1997).Theoretical investigation of LaCn+ (n=2-8) clusters.chemical physics letters,281(1-3),233-238. |
| MLA | Wu ZJ,et al."Theoretical investigation of LaCn+ (n=2-8) clusters".chemical physics letters 281.1-3(1997):233-238. |
入库方式： OAI收割
来源：长春应用化学研究所
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