Semiempirical method for the evaluation of bond covalency in complex crystals
文献类型：期刊论文
| 作者 | Wu ZJ ; Zhang SY |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 1999 |
| 卷号 | 103期号:21页码:4270-4274 |
| 关键词 | VALENCE PARAMETERS OXIDES IONICITIES SUSCEPTIBILITIES |
| ISSN号 | 1089-5639 |
| 通讯作者 | wu zj |
| 中文摘要 | we report a semiempirical method for the evaluation of bond covalency in complex crystals. this method is the extension of the dielectric description theory delivered by phillips, van vechten, levine, and tanaka (pvlt) which is mainly suitable for binary crystals. our method offers the advantage of applicability to a broad class of complex materials. the simplicity of the approach allows a broader class of researchers to access the method easily and to calculate not only the bond covalency but also other useful. properties such as bulk modulus. for a series study, a useful trend can be illustrated and often the prediction of the properties of the-missing one(s) among the series can be possible. finally, examples are given to show how the method is applied and the procedure is transferable to other complex crystals. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000080646500020 |
| 公开日期 | 2010-11-04 |
| 源URL | [http://202.98.16.49/handle/322003/21835]  |
| 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,Zhang SY. Semiempirical method for the evaluation of bond covalency in complex crystals[J]. journal of physical chemistry a,1999,103(21):4270-4274. |
| APA | Wu ZJ,&Zhang SY.(1999).Semiempirical method for the evaluation of bond covalency in complex crystals.journal of physical chemistry a,103(21),4270-4274. |
| MLA | Wu ZJ,et al."Semiempirical method for the evaluation of bond covalency in complex crystals".journal of physical chemistry a 103.21(1999):4270-4274. |
入库方式： OAI收割
来源：长春应用化学研究所
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