²é¿´: 537  |  »Ø¸´: 1

ydtangl

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóÖú¾«ÐÞÉó¸åÒâ¼ûÔõô½â¾ö xi2004ÀÏʦ ÒÑÓÐ1È˲ÎÓë

Ê×ÏÈÖÔÐĵظÐлxi2004ÀÏʦµÄ°ïÖú¡£
ÎÒͶÁËһƪÎÄÕ£¬ÆäÖÐÓÐÈçÏÂÉó¸åÒâ¼ûÔõÑù½â¾öºÍ»Ø¸´£¿Çó¸÷λ´óÏÀ°ïÖú¡£
For example, the disorder in the water molecule is not addressed. For the authors consideration, the use of the PART instruction can help separate interaction between the two disordered components of the water molecule.

The authors have outdated references/template for their software. The software used in refining the structure is SHELXL-2014, not SHELXL-97 as stated in the body text. This and the appropriate references should be corrected and updated. The contraction of the data to 50 deg. in 2-theta and the omission of the [1 0 0] reflection should also be noted in the refinement section.

Examining the model, the authors have multiple instances of HTAB. It is not clear why there are more than one set of HTAB instructions. This also leads me to ask: why were these metrics not discussed? As noted above the water molecule at the very least is involved in hydrogen-bonding.

Õâ¸öÊý¾ÝÊÇÓÃshelxl97½âÎöµÄ£¬µ«ÊÇÉÏ´«Ê±ÐèÒªÓÃshelxl2014´¦Àí£¬ÓÚÊÇÎÒÓÃ2014¾«ÐÞÁ˼¸ÂÖ£¬ÉÏ´«£¬Ã»ÓгöÏÖ´íÎó¡£ÏÖÔÚÉó¸åר¼Ò¾Í´ËÌá³öÁËÉÏÊöÎÊÌ⣿ϣÍû¸÷λ´óÏÀ°ïæ¿´¿´£¬Ð»Ð»¸÷λ£¡£¡£¡@xi2004

[ Last edited by sty112 on 2017-4-24 at 09:42 ]
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : work-T201414-Cu_2,4myes_4,4bipy_-xi-Ok.rar
  • 2017-04-24 09:04:46, 341.45 K

» ²ÂÄãϲ»¶

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÎÒÏë¸ü¶®Äã29

ר¼Ò¹ËÎÊ (ÎÄ̳¾«Ó¢)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÎÒ¿´µÄÒâ˼ºÃÏóÊÇÒªÌÖÂÛÇâ¼ü×÷ÓðÉ

·¢×ÔСľ³æAndroid¿Í»§¶Ë
ÒÔ´ó¶àÊýÈ˵ÄŬÁ¦³Ì¶È£¬»¹ÂÖ²»µ½È¥Æ´Ì츳µÄµØ²½
2Â¥2017-04-24 14:29:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ydtangl µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ÅóÓÑȦ¿´µ½µÄ +7 wangzilk 2026-08-18 9/450 2026-08-24 10:50 by cmrandy
[»ù½ðÉêÇë] ÈÃÎÒÖÐÒ»¸öÃæÉϰɣ¡ +13 ´óƼ1987 2026-08-20 16/800 2026-08-24 10:23 by ̫ɵÁË
[»ù½ðÉêÇë] ·Å°ñǰµÄ²»µ­¶¨ 20+4 snowwithsea 2026-08-19 17/850 2026-08-24 10:20 by echo8914667
[»ù½ðÉêÇë] ¿ÆÑй¶ùÌ«ÄÑÁË +18 ÎÒ4´ó°×²Ë 2026-08-20 19/950 2026-08-24 09:47 by ¿­¶÷¹ãÊ¢´ß»¯·ÖÎ
[»ù½ðÉêÇë] ·¶½øÖоÙÒ»ÎĵÄÖÐÐÄ˼Ïë +5 Ñ׻ƹóëÐ 2026-08-22 6/300 2026-08-24 06:34 by sincosx
[»ù½ðÉêÇë] ½¨Òé»ù½ð·¢²¼Ìáǰ¸ø³öÃ÷È·µÄʱ¼äµã +11 kulium 2026-08-21 14/700 2026-08-24 02:12 by Á÷Á÷ÉË
[»ù½ðÉêÇë] 2026¹ú×ÔÈ»º¯ÆÀ·Ñµ½ÕË +16 ÑòÑü°å 2026-08-21 17/850 2026-08-23 23:02 by tianxiaochun
[»ù½ðÉêÇë] 2026ÄêµÄ¹ú¼ÒÉç¿Æ»ù½ðÏîĿͨѶÆÀÉóµÄйæÔòÓëж¯Ïò¡¢ÐÂÌôÕ½ +4 process2012 2026-08-23 5/250 2026-08-23 19:58 by jurkat.1640
[»ù½ðÉêÇë] 93BebMhtakhǰºó11λ¿ªÍ·¶¼ÊÇ´óд +7 ÇÒÌý»¢Ð¥ 2026-08-17 8/400 2026-08-22 21:55 by ҽѧÀÏÄк¢
[»ù½ðÉêÇë] ÈËÆø²»ÐÐÁË +8 fansofjerry 2026-08-21 8/400 2026-08-22 16:30 by zyqchem
[»ù½ðÉêÇë] ʱ¼ä´Á½ñÌ죬20ºÅ±äÁË +5 archvillain 2026-08-20 5/250 2026-08-22 06:12 by hui_daxiao
[»ù½ðÉêÇë] ½ñÈÕ²»·Å°ñ£¿Íø´«¹ú×ÔȻԤ¼Æ 8 Ô 27 Èտɲé½á¹û +16 ҽѧÀÏÄк¢ 2026-08-20 20/1000 2026-08-21 21:13 by Ldrop2023
[»ù½ðÉêÇë] ¿´À´½ñÌì²»»á·Å°ñÁË£¿ +8 chengyan1220 2026-08-21 11/550 2026-08-21 17:52 by dcqxinyang
[»ù½ðÉêÇë] ÎÒÃæÉÏÍêµ°ÁË +7 ÇÒÌý»¢Ð¥ 2026-08-20 8/400 2026-08-21 12:31 by ¿á¿áÄ«¾µ
[»ù½ðÉêÇë] Ó¦¸ÃÊÇÏÂÖÜÈý26ÈÕ¹«²¼Á˰ɣ¿ +4 ¹þ¹þ¸ò£¿ 2026-08-21 4/200 2026-08-21 10:58 by Vivilian
[»ù½ðÉêÇë] ½ñÌì·Å°ñûϷÁ衃 +9 yuleib84 2026-08-19 11/550 2026-08-21 10:06 by gltch
[»ù½ðÉêÇë] »ù½ð°¡»ù½ð +4 longfie172 2026-08-20 4/200 2026-08-21 08:58 by mark mao
[»ù½ðÉêÇë] ¹À¼ÆÊÇÖÜËÄ +3 archvillain 2026-08-18 3/150 2026-08-21 01:48 by jnhyjjm
[»ù½ðÉêÇë] Ã÷Ìì·Å°ñ£¿ +5 Shxjjxjkx 2026-08-18 5/250 2026-08-18 18:14 by -´ó´ó´ó´ó´ó-
[»ù½ðÉêÇë] ½ñÌìά»¤ÏµÍ³Î¬»¤ ×£ËùÓÐÈË ¸ßÖÐ +8 gjjjzhong 2026-08-18 9/450 2026-08-18 13:01 by ¼ÒÓëÔ¶·½
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û