Electronic structures and chemical bonding in 4d-and 5d-transition metal mononitrides
文献类型：期刊论文
| 作者 | Hong B ; Cheng L ; Wang MY ; Wu ZJ |
| 刊名 | molecular physics
 |
| 出版日期 | 2010 |
| 卷号 | 108期号:1页码:25-33 |
| 关键词 | TRANSFORM EMISSION-SPECTROSCOPY DENSITY-FUNCTIONAL CALCULATIONS AB-INITIO CALCULATIONS REACTIVE LASER-ABLATION MATRIX INFRARED-SPECTRA HYPERFINE-STRUCTURE DIPOLE-MOMENTS TITANIUM NITRIDE PLATINUM NITRIDE NITROGEN-ATOMS |
| ISSN号 | 0026-8976 |
| 通讯作者 | wu zj |
| 中文摘要 | bond distances, vibrational frequencies, dipole moments, dissociation energies, electron affinities and ionisation potentials of 4d- and 5d- transition metal mononitrides molecules in neutral, positively and negatively charged ions were studied using density functional method b3lyp. the bonding patterns are complex for these systems, which involves covalent, ionic and dative components. the calculated results are compared with the available data and across the series. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000273611200003 |
| 公开日期 | 2012-06-07 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43972]  |
| 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 | Hong B,Cheng L,Wang MY,et al. Electronic structures and chemical bonding in 4d-and 5d-transition metal mononitrides[J]. molecular physics,2010,108(1):25-33. |
| APA | Hong B,Cheng L,Wang MY,&Wu ZJ.(2010).Electronic structures and chemical bonding in 4d-and 5d-transition metal mononitrides.molecular physics,108(1),25-33. |
| MLA | Hong B,et al."Electronic structures and chemical bonding in 4d-and 5d-transition metal mononitrides".molecular physics 108.1(2010):25-33. |
入库方式： OAI收割
来源：长春应用化学研究所
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