| ²é¿´: 452 | »Ø¸´: 6 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
| ¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß wwt1806 µÄ 4 ¸ö½ð±Ò | |||
wwt1806ľ³æ (ÕýʽдÊÖ)
|
[½»Á÷]
¹ØÓÚË®ÉÏÇâµÄÏÞÖÆµÄÉó¸åÒâ¼û¡£Çë½Ì´ó¼Ò£¬¼±¡£7ÔÂ14ÈÕ12µã֮ǰÓÐЧ
|
||
|
Hydrogen atom treatment for water molecules is wrong. The authors state that the hydrogen atoms were located from the Fourier map, implying that they are freely refined. However, all O-H bond lengths are 0.850 and have clearly been subject to restraints which are not detailed in the manuscript or the CIF. Any restraints to a crystallographic model most be detailed ¨C there is no problem in using these restraints but it must be clear how the hydrogen positions have been fixed. Òâ˼ÊÇ˵ÎÒÔÚ¸øË®ÉϼÓÇâÊÇËùÓеÄÇâÔ×Ó¶¼¸øÏÞÖÆÁËÆä¼ü³¤Îª0.85A£¬¶øÎÒÔÚÎÄÖÐȴûÓÐÖ¸³öÀ´¡£¶ø¶ÔÓÚ¾§ÌåÊý¾ÝÖеÄÏÞÖÆÊdz£¼ûµÄ£¬µ«ÊÇÈκεÄÏÞÖÆÊÇÐèÒªÁгöÀ´µÄ¡£ ÎÒÏëÕâÑù»Ø´ð£º all the hydrogen atoms were located from the Fourier map and refined with the O-H bond lengths restrainting of 0.850 A. ²»ÖªÈçºÎ£¬Ï£Íû´ó¼ÒÖ¸µã¡£¸ÃÈçºÎд£¿ |
» ²ÂÄãϲ»¶
ÖÐÄÏ´óѧÒ×СÒÕ¿ÎÌâ×é³ÏÕÐ2026ÉêÇë-¿¼ºËÖÆ²©Ê¿Éú
ÒѾÓÐ0È˻ظ´
º£ÄÏʦ·¶´óѧÕÐÊÕ»¯Ñ§²©Ê¿£¨¹âµç¹¦ÄܲÄÁÏ¿ÎÌâ×éÕÐÊÕ²©Ê¿Ñо¿Éú£©
ÒѾÓÐ11È˻ظ´
ÎÞ»ú»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ70È˻ظ´
ÇóÖú¼¸¸öÍŴصÄcif
ÒѾÓÐ0È˻ظ´
¼±Çó¸Ã·´Ó¦µÄÏêϸ»úÀí
ÒѾÓÐ5È˻ظ´
¡¾Ei | Scopus Ë«¼ìË÷¡¿2026ÄêÖÇÄܽ»Í¨ÓëδÀ´³öÐйú¼Ê»áÒ飨CSTFM 2026£©
ÒѾÓÐ0È˻ظ´
¡¾EI|Scopus Ë«¼ìË÷¡¿2026ÄêµÚÁù½ì»úÆ÷ÈËÓëÈ˹¤ÖÇÄܹú¼Ê»áÒ飨JCRAI 2026£©
ÒѾÓÐ0È˻ظ´
zoteroµÄadvanced materialÄ£°åûÓиüУ¬ÓÐÈËÓÐаæµÄclsÎļþÂð
ÒѾÓÐ2È˻ظ´
¡¾¸ßУÁªºÏ¾Ù°ì¡¿2026ÄêµÚÎå½ì·þÎñ»úÆ÷È˹ú¼Ê»áÒ飨ICoSR 2026£©
ÒѾÓÐ0È˻ظ´

yy0520yy
½ð³æ (Ö°Òµ×÷¼Ò)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 444.2
- É¢½ð: 4530
- ºì»¨: 7
- Ìû×Ó: 4377
- ÔÚÏß: 254.8Сʱ
- ³æºÅ: 453568
- ×¢²á: 2007-11-07
- ÐÔ±ð: GG
- רҵ: Ò©Îﻯѧ
2Â¥2009-07-14 10:11:08
staphlee
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1520.8
- ºì»¨: 22
- Ìû×Ó: 615
- ÔÚÏß: 68.3Сʱ
- ³æºÅ: 615616
- ×¢²á: 2008-10-02
- רҵ: ¸ß·Ö×Ó¿ÆÑ§
¡ï ¡ï
wwt1806(½ð±Ò+2,VIP+0):¿´À´Òâ˼ÊǶԵÄÁË£¬ºÇºÇ£¬Ð»Ð»½»Á÷ 7-14 10:20
wwt1806(½ð±Ò+2,VIP+0):¿´À´Òâ˼ÊǶԵÄÁË£¬ºÇºÇ£¬Ð»Ð»½»Á÷ 7-14 10:20
|
""all the hydrogen atoms were located from the Fourier map and refined with the O-H bond lengths restrainting of 0.850 A."" ÎÒ¾õµÃreviewerµÄÒâ¼ûÖ»ÊÇÒªÄãд³öÀ´¾ÍºÃÁË...ËùÒÔÖ»ÒªÓгÂÊö¾ÍokÁË ²»¹ýÄãµÄbond lengths restrainting of 0.850 AÕâ¾ä¹Ö¹ÖµÄ ÓÈÆäÊÇrestraintÊÇÃû´Ê...Èç¹ûÒªµ±¶¯Ãû´ÊÓÃrestraning.... restrainting of?ÎÒ¾õµÃÕâÑùдÊDz»¶ÔµÄ...²»¹ý»¹Çëר¼Ò½¨ÒéһϠ|
3Â¥2009-07-14 10:18:38
wwt1806
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 16 (СѧÉú)
- ½ð±Ò: 5440.5
- ºì»¨: 6
- Ìû×Ó: 958
- ÔÚÏß: 221.4Сʱ
- ³æºÅ: 423904
- ×¢²á: 2007-07-21
- רҵ: ´ß»¯»¯Ñ§

4Â¥2009-07-14 10:22:37
xi2004
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- CMEI: 10
- Ó¦Öú: 125 (¸ßÖÐÉú)
- ½ð±Ò: 16769.9
- É¢½ð: 12393
- ºì»¨: 221
- Ìû×Ó: 4161
- ÔÚÏß: 436.9Сʱ
- ³æºÅ: 354550
- ×¢²á: 2007-04-24
- רҵ: ½á¹¹»¯Ñ§
¡ï ¡ï
wwt1806(½ð±Ò+2,VIP+0):ÄãµÄÒâ˼ÊǰÑHµÄUeq¸Ä³É-1.2£¿ 7-14 10:48
wwt1806(½ð±Ò+2,VIP+0):ÄãµÄÒâ˼ÊǰÑHµÄUeq¸Ä³É-1.2£¿ 7-14 10:48
|
ÄãµÄHµÄUeqÐÞÕýÁË?²»¼ûµÃ°É? |

5Â¥2009-07-14 10:37:02
staphlee
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1520.8
- ºì»¨: 22
- Ìû×Ó: 615
- ÔÚÏß: 68.3Сʱ
- ³æºÅ: 615616
- ×¢²á: 2008-10-02
- רҵ: ¸ß·Ö×Ó¿ÆÑ§
¡ï
wwt1806(½ð±Ò+1,VIP+0):ллÌáÐÑ 7-14 10:48
wwt1806(½ð±Ò+1,VIP+0):ллÌáÐÑ 7-14 10:48
|
""... from the different Fourier maps ..... "" ???????...????]???v different Fourier maps ????? difference Fourier maps ... |
6Â¥2009-07-14 10:40:10
staphlee
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1520.8
- ºì»¨: 22
- Ìû×Ó: 615
- ÔÚÏß: 68.3Сʱ
- ³æºÅ: 615616
- ×¢²á: 2008-10-02
- רҵ: ¸ß·Ö×Ó¿ÆÑ§
7Â¥2009-07-14 10:43:19













»Ø¸´´ËÂ¥