Theoretical investigation of 5D-metal monocarbide
文献类型：期刊论文
| 作者 | Wang JP ; Sun XB ; Wu ZJ |
| 刊名 | journal of cluster science
 |
| 出版日期 | 2007 |
| 卷号 | 18期号:1页码:333-344 |
| 关键词 | POTENTIAL-ENERGY CURVES LYING ELECTRONIC STATES TRANSITION-METAL DIPOLE-MOMENTS AB-INITIO ABSORPTION-SPECTROSCOPY RUTHENIUM MONOCARBIDE OPTICAL SPECTROSCOPY TUNGSTEN CARBIDE EXCITED-STATES |
| ISSN号 | 1040-7278 |
| 通讯作者 | wang jp |
| 中文摘要 | bond distances, vibrational frequencies, electron affinities, ionization potentials and dissociation energies of the title molecules in neutral, positively and negatively charged ions were studied by use of density functional method. the calculated results were compared with previous theoretical and experimental studies. ground states for each molecule were assigned. it was found that for some molecules, low-lying state, in which the energy is much close to the ground state, was obtained. in this case, further studies both experimentally and theoretically are necessary in order to find the true global minimum. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000245457100024 |
| 公开日期 | 2010-07-13 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/13397]  |
| 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 | Wang JP,Sun XB,Wu ZJ. Theoretical investigation of 5D-metal monocarbide[J]. journal of cluster science,2007,18(1):333-344. |
| APA | Wang JP,Sun XB,&Wu ZJ.(2007).Theoretical investigation of 5D-metal monocarbide.journal of cluster science,18(1),333-344. |
| MLA | Wang JP,et al."Theoretical investigation of 5D-metal monocarbide".journal of cluster science 18.1(2007):333-344. |
入库方式： OAI收割
来源：长春应用化学研究所
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