Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 2464  |  »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

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
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

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

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] ҩѧ305Çóµ÷¼Á +5 Â꿨°Í¿¨boom 2026-04-11 5/250 2026-04-14 18:11 by åÐÒ£ÈýÀÉ
[¿¼ÑÐ] 272·Ö²ÄÁÏ×ÓÇóµ÷¼Á +41 Loy0361 2026-04-10 54/2700 2026-04-14 18:00 by lhj2009
[¿¼ÑÐ] 367Çóµ÷¼Á +11 hffQAQ 2026-04-09 11/550 2026-04-14 17:48 by lhj2009
[¿¼ÑÐ] 22408 312Çóµ÷¼Á +15 ÃÅ·ÃþÃþ 2026-04-14 16/800 2026-04-14 17:15 by zs92450
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +18 »ý¼«ÏòÉÏ£» 2026-04-10 20/1000 2026-04-14 16:11 by zs92450
[¿¼ÑÐ] ±¾¿Æ211£¬±¨¿¼085601-310·Ö +16 ararak 2026-04-13 16/800 2026-04-14 14:55 by Delta2012
[¿¼ÑÐ] 245Çóµ÷¼Á +6 ±ùÌÇéÙ?ÆûË® 2026-04-13 10/500 2026-04-14 10:49 by jyl0317
[»ù½ðÉêÇë] ɽ¶«Ê¡»ù½ð2026 +6 jerry681 2026-04-08 7/350 2026-04-14 10:08 by î¿Ë×
[¿¼ÑÐ] 273Çóµ÷¼Á +3 °×¾Ó²»Ò×. 2026-04-09 5/250 2026-04-13 19:27 by or7ro
[»ù½ðÉêÇë] Óб¬ÁÏ£¬Ò»¸öÇàÄê½ÌʦÂô·¿µÃ400Íò£¬È»ºó»»ÁËÒ»¸öËÄÇàñ×Ó +11 babu2015 2026-04-08 11/550 2026-04-13 16:33 by probebill
[¿¼ÑÐ] 339Çóµ÷¼Á +4 hanwudada 2026-04-12 4/200 2026-04-13 12:03 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 086000µ÷¼Á +6 Ê®Æßsa 2026-04-07 6/300 2026-04-12 11:05 by ´óÁ¦Ë®ÊÖÁ¦´óÎÞÇ
[¿¼ÑÐ] Çóµ÷¼Á£¬262»úеר˶ +8 àÅyyl 2026-04-08 8/400 2026-04-12 02:31 by Çï¶¹²ËÑ¿
[¿¼ÑÐ] 299Çóµ÷¼Á +8 ZVVZ13 2026-04-08 8/400 2026-04-12 00:40 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¿¼Ñе÷¼Á +26 ˶ÐǸ° 2026-04-09 27/1350 2026-04-10 22:24 by Öí»á·É
[¿¼ÑÐ] 085800 ÄÜÔ´¶¯Á¦Çóµ÷¼Á +6 °¢biu°¡°¡°¡°¡°¡ 2026-04-10 6/300 2026-04-10 15:03 by hemengdong
[¿¼ÑÐ] 282£¬µçÆø¹¤³Ìרҵ£¬Çóµ÷¼Á£¬²»Ìôרҵ +9 jggshjkkm 2026-04-10 9/450 2026-04-10 14:55 by ÄæË®³Ë·ç
[¿¼ÑÐ] Çóµ÷¼Á +11 ôæôæÒ»ÊéÉú 2026-04-09 13/650 2026-04-10 10:27 by liuhuiying09
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +9 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-09 10/500 2026-04-09 20:01 by Orcid
[ÂÛÎÄͶ¸å] ÇóÖúÎÄÏ×Ô­ÎÄ 10+3 18500821399 2026-04-08 3/150 2026-04-09 16:56 by ±±¾©À³ÒðÈóÉ«
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û