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北京石油化工学院2026年研究生招生接收调剂公告
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小阳0725

银虫 (小有名气)

[求助] 有机配体上的苯环中的碳不稳定,怎么解决? 已有1人参与

各位大神,有机配体上的苯环中的碳不稳定,形成不了苯环,怎么定住稳定?
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小阳0725

银虫 (小有名气)

引用回帖:
39楼: Originally posted by wenbin2012 at 2017-11-10 09:47:52
无序,简单点来说,就是原子的热振动大,原子位置不固定,要裂分成两个位置或者多个位置,而占有率加和为1....

大神,用OLEX精修后check出现这种情况
Syntax problems

Your CIF has syntax errors as listed below. No further checks will be performed. Please fix and recheck your CIF.
ERROR: Unexpected string (TITL) at line 23386
>>> "TITL"
*** There is an unexpected word or number as indicated. This may be because
    a loop is intended but the loop_ keyword has been missed out; or a phrase
    with several words is not enclosed in matching delimiting quote marks;
    or a text field (extending over several lines) is not properly closed
    with a final semicolon; or a data_ block header has not yet been seen.
ERROR: Unexpected string (1-171101_a.res) at line 23386
ERROR: Unexpected string (in) at line 23386
ERROR: Unexpected string (P2(1)/n) at line 23386
ERROR: Unexpected string (CELL) at line 23387
>>> "CELL"
ERROR: Unexpected string (17.7817) at line 23387
ERROR: Unexpected string (13.1004) at line 23387
ERROR: Unexpected string (41.0140) at line 23387
ERROR: Unexpected string (90.00) at line 23387
ERROR: Unexpected string (97.63) at line 23387
ERROR: Unexpected string (90.00) at line 23387
ERROR: Unexpected string (SPGR) at line 23388
>>> "SPGR"
ERROR: Unexpected string (P21/n) at line 23388
ERROR: Unexpected string (Q101) at line 23391
>>> "Q101"
ERROR: Unexpected string (0.512) at line 23391
ERROR: Unexpected string (0.643) at line 23391
ERROR: Unexpected string (0.219) at line 23391
ERROR: Unexpected string (!) at line 23391
ERROR: Unexpected string (4.23) at line 23391
ERROR: Unexpected string (eA-3) at line 23391
-------------------------------------------------------------------------
Only the first 20 errors are printed out. Please fix these and try again!
41楼2017-11-10 16:04:22
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DJ_Tokyo

新虫 (知名作家)

你的意思是不在一个平面上,无法定成正六边形呗
2楼2017-11-05 18:59:07
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小阳0725

银虫 (小有名气)

引用回帖:
2楼: Originally posted by DJ_Tokyo at 2017-11-05 18:59:07
你的意思是不在一个平面上,无法定成正六边形呗

不是,是根本找不到Q峰,不过也有的是不在一个平面上
3楼2017-11-05 19:25:06
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DJ_Tokyo

新虫 (知名作家)

引用回帖:
3楼: Originally posted by 小阳0725 at 2017-11-05 19:25:06
不是,是根本找不到Q峰,不过也有的是不在一个平面上...

数据发上来瞧瞧
4楼2017-11-05 19:35:16
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