| 查看: 199 | 回复: 2 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
sumwindy金虫 (正式写手)
|
[交流]
求助一个A级错误
|
||
|
PLAT601 Type_2 Test for (Unreported) solvent accessible voids -------------------------------------------------------------------------------- Crystal structures in general do not contain large solvent accessible voids in the lattice. Most structures lose their long-range ordering when solvent molecules leave the crystal. Only when the remaining network is strongly bonded (e.g. zeolites and some hydrogen bonded networks) the crystal structure may survive. Residual voids in a structure may indicate the omission of (disordered) density from the model. Disordered density may go undetected when smeared since peak search programs are not designed to locate maxima on density ridges. The presence or absence of residual density in the void may be veryfied on a printed/plotted difference Fourier map or with PLATON/SQUEEZE. Voids of 40 Ang**3 may accommodate H2O. Small molecules such as Tetrahydrofuran have typical volumes in the 100 to 200 Ang**3 range. This test reports the volume of the largest solvent accessible void in the structure. A paper reporting a crystal structure with a significant solvent accessible void should at the least discuss the issue. 这个该如何修啊？ |
回复此楼» 猜你喜欢
中南大学易小艺课题组诚招2026申请-考核制博士生
已经有0人回复
-
海南师范大学招收化学博士（光电功能材料课题组招收博士研究生）
已经有10人回复
-
无机化学论文润色/翻译怎么收费?
已经有222人回复
-
求助几个团簇的cif
已经有0人回复
-
急求该反应的详细机理
已经有5人回复
-
【Ei | Scopus 双检索】2026年智能交通与未来出行国际会议（CSTFM 2026）
已经有0人回复
-
【EI|Scopus 双检索】2026年第六届机器人与人工智能国际会议（JCRAI 2026）
已经有0人回复
3楼2009-06-24 12:21:58
xi2004
至尊木虫 (职业作家)
- CMEI: 10
- 应助: 125 (高中生)
- 金币: 16769.9
- 散金: 12393
- 红花: 221
- 帖子: 4161
- 在线: 436.9小时
- 虫号: 354550
- 注册: 2007-04-24
- 专业: 结构化学
2楼2009-06-24 11:45:27