An approach for eliminating chemically unreasonable structure models with overlapping atoms as implemented within the GEST software
文献类型：期刊论文
| 作者 | Feng, ZJ ; Jia, RR ; Dong, C ; Cao, SX ; Zhang, JC |
| 刊名 | JOURNAL OF APPLIED CRYSTALLOGRAPHY
 |
| 出版日期 | 2010 |
| 卷号 | 43页码:179 |
| 关键词 | POWDER DIFFRACTION DATA CRYSTAL-STRUCTURE DETERMINATION GENETIC ALGORITHM PATTERNS |
| ISSN号 | 0021-8898 |
| 通讯作者 | Zhang, JC: Shanghai Univ, Dept Phys, Shanghai 200444, Peoples R China. |
| 中文摘要 | A close-contact penalty factor has been added to the GEST structure solution from powder diffraction data software to differentiate chemically unreasonable structure models from potentially correct models. In order to eliminate the chemically unreasonable structures, the penalty factor is added to the Bragg R factor. This has proved to be an effective approach. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China (NSFC) [10904088, 50932003, 10774097, 10674092]; Science and Technology Committee of Shanghai Municipality [08dj1400202, 07-JC14022, 09ZZ95] |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33624]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Feng, ZJ,Jia, RR,Dong, C,et al. An approach for eliminating chemically unreasonable structure models with overlapping atoms as implemented within the GEST software[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY,2010,43:179. |
| APA | Feng, ZJ,Jia, RR,Dong, C,Cao, SX,&Zhang, JC.(2010).An approach for eliminating chemically unreasonable structure models with overlapping atoms as implemented within the GEST software.JOURNAL OF APPLIED CRYSTALLOGRAPHY,43,179. |
| MLA | Feng, ZJ,et al."An approach for eliminating chemically unreasonable structure models with overlapping atoms as implemented within the GEST software".JOURNAL OF APPLIED CRYSTALLOGRAPHY 43(2010):179. |
入库方式： OAI收割
来源：物理研究所
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