Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 2466  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

Captain-Jack

ľ³æ (ÖøÃûдÊÖ)


[½»Á÷] ¸ß˹L103´íÎóÇó½âÊÍ

ÎÒÔÚ¼ÆËãË®·Ö×ÓÍÅ´ØÄ£ÐÍϵĽṹÓÅ»¯Ê±£¬³öÏÖL103µÄ´íÎ󣬸ÃÈçºÎ½â¾ö£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¸ß˹¼ÆËã·´Ó¦¹ý¶É̬

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

wangsihang

ľ³æ (ÕýʽдÊÖ)


¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
Captain-Jack(½ð±Ò+1): лл²ÎÓë
gmy1990: ½ð±Ò+2 2012-12-17 17:06:37
Captain-Jack: ½ð±Ò+3, ¶àл¶àл~~ 2012-12-17 21:28:22
Äã΢µ÷Ò»ÏÂÄãµÄ½á¹¹£¬ÓÈÆäÊÇË®·Ö×ӺͻîÐÔλµãÖ®¼äµÄ¾àÀ룬L103´íÎóÍùÍùÊǹ¹ÐÍÓÅ»¯»òÕß¹ý¶É̬¼ÆËãʱºò³ö´í¡£
3Â¥2012-12-17 17:03:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

liuyy2009

гæ (³õÈëÎÄ̳)


¡ï
Captain-Jack(½ð±Ò+1): лл²ÎÓë
¿ÉÄÜÊÇÊäÈëÎļþÓÐÎÊÌâ
2Â¥2012-12-17 16:41:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Captain-Jack

ľ³æ (ÖøÃûдÊÖ)


ÒýÓûØÌû:
2Â¥: Originally posted by liuyy2009 at 2012-12-17 16:41:16
¿ÉÄÜÊÇÊäÈëÎļþÓÐÎÊÌâ

%chk=midingtong-danti1216-2H2O-O-N-raman.chk
%mem=500MB
#p opt freq=raman b3lyp/6-311++g(d,2p) scrf=(pcm,solvent=water)

Title Card Required

0 1
N                  0.46014480   -1.75908183    0.02744357
C                 -0.90096020   -1.75908183    0.02744357
N                 -1.71745520   -0.67002183    0.02747657
C                 -1.09816720    0.52899217    0.02741957
C                  0.30479580    0.65192117    0.02744257
C                  1.04802780   -0.54435483    0.02744357
O                 -1.94638433    1.68026438    0.02742475
H                  0.79467380    1.63138717    0.02744757
H                  2.15262680   -0.53513683    0.02742057
H                 -1.39730720   -2.75158383    0.02741557
H                 -2.71398916   -0.75320872    0.02753915
O                 -3.57694742    0.36247028   -0.01110546
H                 -3.09382301    1.19203972   -0.00879160
H                 -4.51705315    0.53890230    0.07058276
O                  2.04202208   -3.43640457    0.19269803
H                  2.16807988   -3.56003861    1.13632087
H                  1.35635477   -2.78112663    0.04413440

78.39
ÕâÊÇÎÒµÄÊäÈëÎļþ£¬ÇëÄú¸øÓëÖ¸µã
4Â¥2012-12-17 21:29:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nunup5

ľ³æ (СÓÐÃûÆø)


¡ï ¡ï
Captain-Jack(½ð±Ò+1): лл²ÎÓë
Captain-Jack: ½ð±Ò+1 2012-12-19 16:30:06
Äã¿ÉÒÔÊÔÊÔ¼Ó×ø±ê¹Ø¼ü´Êopt=cartesian
5Â¥2012-12-18 09:59:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 291·Öµ÷¼Á +8 Éϰ¶Ð¡Ó¨¼ÓÓÍ 2026-04-09 9/450 2026-04-15 00:41 by zzzggc
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +18 »ý¼«ÏòÉÏ£» 2026-04-10 20/1000 2026-04-14 16:11 by zs92450
[¿¼ÑÐ] 085801µçÆø×¨Ë¶272Çóµ÷¼Á +14 µçÆøÀî 2026-04-13 15/750 2026-04-14 14:58 by ÄæË®³Ë·ç
[¿¼ÑÐ] ʳƷÓëÓªÑø£¨0955£©271Çóµ÷¼Á +15 Éý¸ñ°¢´ï 2026-04-12 16/800 2026-04-14 13:18 by ¸¡Èô_°²Éú
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +24 Ò¶zilin 2026-04-13 25/1250 2026-04-14 09:20 by ÊÔ¹ÜÆÆÁÑ
[¿¼ÑÐ] »úе»¹Óл¹ÓÐÃû¶îÂð£¿Ì«ÄÑÁË +8 ЦЦԬ 2026-04-10 8/400 2026-04-14 08:44 by screening
[¿¼ÑÐ] ±¾¿ÆÎ÷¹¤´ó 324Çóµ÷¼Á +5 wysyjs25 2026-04-10 5/250 2026-04-13 23:08 by pies112
[¿¼ÑÐ] 310Çóµ÷¼Á +15 666ÕæºÃ 2026-04-11 17/850 2026-04-13 22:27 by pies112
[¿¼ÑÐ] һ־Ը˫·Ç085400µç×ÓÐÅÏ¢344 Çóµ÷¼Á£¬¶Ô²ÄÁϺͻ¯Ñ§·½ÏòÒ²¸ÐÐËȤ +12 ÎÞÇéµÄСÑò 2026-04-09 13/650 2026-04-13 14:17 by ÕÅzhihao
[¿¼ÑÐ] Çóµ÷¼Á +16 ÕÅ·¬ÇѲ»³´µ° 2026-04-10 17/850 2026-04-12 13:58 by °¾Ò¹³É£¡
[¿¼ÑÐ] 326Çóµ÷¼Á +6 Shansyn 2026-04-10 6/300 2026-04-12 09:46 by hammer3
[¿¼ÑÐ] ²ÄÁϹ¤³ÌÈÕÓÉúÇóµ÷¼Á +7 0856?µ÷¼Á 2026-04-10 7/350 2026-04-11 21:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µç×ÓÐÅÏ¢279Çóµ÷¼Á£¬ÓÐÊé¶Á¾ÍÐÐ +8 wwwooden 2026-04-08 11/550 2026-04-11 20:22 by cq2548
[¿¼ÑÐ] 085501»úеר˶ 302·Ö ²»ÌôרҵÇóµ÷¼Á +7 Íôij. 2026-04-09 7/350 2026-04-11 14:37 by luhong1990
[¿¼ÑÐ] 0854µ÷¼Á +8 950824he@ 2026-04-09 8/400 2026-04-11 10:11 by zhq0425
[¿¼ÑÐ] 314Çóµ÷¼Á +18 xhhdjdjsjks 2026-04-09 19/950 2026-04-10 18:53 by HPUCZ
[¿¼ÑÐ] Ò»Ö¾Ô¸¾©Çø985£¬085401µç×ÓÐÅÏ¢£¬±¾¿Æµç×ÓÐÅÏ¢ +3 Ñô¹â¿ªÀʵÄÄк¢ 2026-04-10 3/150 2026-04-10 16:29 by sophia_93
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
[¿¼ÑÐ] 083200 ³õÊÔ305·Ö Çóµ÷¼Á Ôݲ»¿¼ÂÇ¿çרҵ +15 Claireyyyy 2026-04-09 15/750 2026-04-09 16:11 by zhuimr
[¿¼ÑÐ] 086004 Çóµ÷¼Á 309 +7 Yin DY 2026-04-08 7/350 2026-04-09 13:59 by Delta2012
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û