| ²é¿´: 2125 | »Ø¸´: 8 | ||||
daiyang½ð³æ (СÓÐÃûÆø)
|
[ÇóÖú]
ÈçºÎÓøß˹¼ÆË㻯ºÏÎïµÄÐý¹â¶È£¬ÒÔÏÂÊÇÎÒµÄÊäÈëÎÄÏ×£¬Íû´óϺÃÇÖ¸Õý ÒÑÓÐ1È˲ÎÓë
|
|
%nprocshared=4 %mem=1GB %chk=nei.chk # opt freq b3lyp/6-31g(d,p) scrf=(iefpcm,solvent=methanol) Title Card Required 0 1 C -3.04858136 1.23148314 -0.50559165 C -2.09971796 0.13708420 0.01662101 C -2.67420884 -1.20495104 0.51115647 C -4.90247539 -0.52098564 -0.41586973 C -4.26178604 0.60739157 -1.23519153 H -3.37043697 1.80939027 0.33543886 H -2.02850021 -1.92462304 0.96944958 H -4.97513100 1.38206739 -1.42470763 C -0.69039210 0.56716056 0.46432063 H -0.13041112 -0.29611750 0.75770143 C -3.99965289 -1.46419785 0.39473038 H -4.41791140 -2.32872578 0.86648379 O -6.14912419 -0.69169821 -0.43303176 O -2.57418814 0.41097911 1.33751451 H -3.51751360 0.23820059 1.38092706 H -3.93580414 0.18001586 -2.16038654 H -2.54291221 1.86341840 -1.20548918 H -0.76907865 1.23974129 1.29277919 C 0.02622962 1.27169848 -0.70258966 O -0.64098278 1.91160990 -1.55635283 O 1.44985997 1.19874019 -0.81596379 C 1.90980611 -0.03524120 -0.25861338 H 1.63108996 -0.08642288 0.77318008 H 1.46744386 -0.85279708 -0.78853603 C 3.44294650 -0.11381166 -0.38070860 H 3.88530875 0.70374423 0.14921404 H 3.78710200 -1.03714039 0.03632982 H 3.72166265 -0.06262998 -1.41250206 ---link1--- %nprocshared=4 %mem=1GB %chk=nei.chk # polar=optrot CPHF=RdFreq b3lyp/6-31g(d,p) scrf=(iefpcm,solvent=methanol) Title Card Required 0 1 |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
¾Ñé |
» ²ÂÄãϲ»¶
304Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Î÷ÄÏij211ÕÐ27½ì²©Ê¿
ÒѾÓÐ32È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ234È˻ظ´
´óÁ¬¹¤Òµ½ÜÇà/³¤½ÍŶÓ-ÉúÎïÖʲÄÁÏ-´¢ÄÜµç³Ø·½ÏòÕÐÊÕ2026¼¶²©Ê¿Éú
ÒѾÓÐ0È˻ظ´
304Çóµ÷¼Á
ÒѾÓÐ2È˻ظ´
Ò»Ö¾Ô¸985ÖÐҩѧ306£¬Çóµ÷¼Á
ÒѾÓÐ0È˻ظ´
ºÓÄÏÒ»±¾¸ßУ»¯Ñ§£¬²ÄÁÏ£¬»¯¹¤×¨ÒµÕÐÊÕÑо¿Éú
ÒѾÓÐ0È˻ظ´
´óÁ¬º£Ê´óѧ´¬²°½à¾»ÄÜÔ´Ñо¿ÖÐÐÄ2026Ä격ʿÑо¿ÉúÕÐÉúÆôÊÂ
ÒѾÓÐ10È˻ظ´
2026ÄêÏæÌ¶´óѧ½ÓÊÕ»¯Ñ§¹¤³ÌÓë¼¼ÊõÏà¹Ø·½ÏòѧÊõÐÍ˶ʿÑо¿Éúµ÷¼ÁÉú
ÒѾÓÐ1È˻ظ´
2026ºþ±±Ê¦·¶´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕ˶ʿÑо¿Éúµ÷¼Á
ÒѾÓÐ0È˻ظ´
ÉîÛÚ´óѧ¸ßµÈÑо¿ÔºÕÔΰ¿ÎÌâ×éÕÐÊÕ»¯Ñ§µ÷¼ÁÉú
ÒѾÓÐ3È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
С°×ÇóÖúÔõô¸ü¸Ä¸ß˹¼ÆËãµÄÊÕÁ²Ìõ¼þ
ÒѾÓÐ6È˻ظ´
¸ß˹¼ÆËãl906ËÀÔõô»ØÊ£¿
ÒѾÓÐ3È˻ظ´
¸ß˹¼ÆËã·Ö×Ó£¬Ôõô¿´Äĸö½á¹¹×îÎȶ¨
ÒѾÓÐ14È˻ظ´
ÐÂÊÖÇóÖú£¬¸ß˹¼ÆËã³öÏÖÎÊÌâ~
ÒѾÓÐ22È˻ظ´
¹ØÓÚÓ«¹âµÄ¸ß˹¼ÆËã
ÒѾÓÐ13È˻ظ´
ÇóÖú£¬ÓйØoriginµÄlegend£¬Íû´óϺÃDz»Áߴͽ̣¡
ÒѾÓÐ9È˻ظ´
߲߸£¨100¡ª150¸öÔ×Ó£©¸ß˹¼ÆËãµÄ¼ÆËã»úÅäÖÃÎÊÌâ
ÒѾÓÐ14È˻ظ´

daiyang
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 2444.5
- É¢½ð: 175
- ºì»¨: 4
- Ìû×Ó: 103
- ÔÚÏß: 76.4Сʱ
- ³æºÅ: 1722301
- ×¢²á: 2012-03-28
- ÐÔ±ð: MM
- רҵ: »·¾³ÎÛȾ»¯Ñ§

2Â¥2015-05-11 16:29:45
3Â¥2015-05-12 08:52:08
ǹÏÂÓλê
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 718 (²©ºó)
- ½ð±Ò: 8336.9
- É¢½ð: 175
- ºì»¨: 80
- Ìû×Ó: 1498
- ÔÚÏß: 542.6Сʱ
- ³æºÅ: 2620258
- ×¢²á: 2013-08-28
- רҵ: ÀíÂۺͼÆË㻯ѧ
4Â¥2015-05-12 09:02:00
daiyang
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 2444.5
- É¢½ð: 175
- ºì»¨: 4
- Ìû×Ó: 103
- ÔÚÏß: 76.4Сʱ
- ³æºÅ: 1722301
- ×¢²á: 2012-03-28
- ÐÔ±ð: MM
- רҵ: »·¾³ÎÛȾ»¯Ñ§

5Â¥2015-05-13 09:48:33
daiyang
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 2444.5
- É¢½ð: 175
- ºì»¨: 4
- Ìû×Ó: 103
- ÔÚÏß: 76.4Сʱ
- ³æºÅ: 1722301
- ×¢²á: 2012-03-28
- ÐÔ±ð: MM
- רҵ: »·¾³ÎÛȾ»¯Ñ§

6Â¥2015-05-13 09:50:11
ǹÏÂÓλê
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 718 (²©ºó)
- ½ð±Ò: 8336.9
- É¢½ð: 175
- ºì»¨: 80
- Ìû×Ó: 1498
- ÔÚÏß: 542.6Сʱ
- ³æºÅ: 2620258
- ×¢²á: 2013-08-28
- רҵ: ÀíÂۺͼÆË㻯ѧ
7Â¥2015-05-13 12:49:31
|
±¾ÌûÄÚÈݱ»ÆÁ±Î |
8Â¥2017-06-16 06:46:52
|
±¾ÌûÄÚÈݱ»ÆÁ±Î |
9Â¥2017-06-16 06:47:48













»Ø¸´´ËÂ¥
