Znn3bq.jpeg
²é¿´: 2406  |  »Ø¸´: 13

zhaoxia2501

½ð³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿gaussian ¼ÆËã³ö´í ÒÑÓÐ10È˲ÎÓë

ÊäÈëÎļþΪ£º
%chk=1nobnmr.chk
%mem=6MW
%nproc=1
# b3lyp/6-311g(d,p) nmr pop=(nbo,savenbo,full)

1longnbonmr

0 1
×ø±ê
Êä³öÎļþΪ£º

Gaussian 03:  x86-Win32-G03RevB.04 2-Jun-2003
                  28-May-2010
*********************************************
%chk=1nobnmr.chk
%mem=6MW
%nproc=1
Will use up to    1 processors via shared memory.
Route card not found.
Error termination via Lnk1e in C:\G03W\l1.exe at Fri May 28 22:40:45 2010.
Job cpu time:  0 days  0 hours  0 minutes  0.0 seconds.
File lengths (MBytes):  RWF=      0 Int=      0 D2E=      0 Chk=      0 Scr=      0
ÎÒÊÇÔÚÒѾ­½øÐÐÁËÓÅ»¯ºÍƵÂʼÆËãµÄ½á¹¹»ù´¡ÉϽøÐеġ£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

lfengxia82

½ð³æ (СÓÐÃûÆø)

zhaoxia2501(½ð±Ò+1): 2010-05-30 16:33:14
ºÇºÇ£¬Õ¼¸öɳ·¢°É£¬zhaoxia
2Â¥2010-05-29 21:28:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lb1586551

Í­³æ (СÓÐÃûÆø)

¡ï
gavinliu7390(½ð±Ò+1):лл½»Á÷£¡ 2010-05-31 13:38:14
ÐÅÏ¢Á¿£¬Ì«ÉÙ£¬¹À¼ÆºÜÄѰﵽÄã
3Â¥2010-05-30 09:33:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

°²Ö¥À­

Í­³æ (³õÈëÎÄ̳)

zhaoxia2501(½ð±Ò+1): 2010-05-31 19:34:21
¶¥£¬Ï£Íû¸ßÊÖÖ¸µã
4Â¥2010-05-30 10:34:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

beefly

ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)

µØ¹µÓÍÒ±Á¶×¨¼Ò

¡ï
zhaoxia2501(½ð±Ò+1): 2010-05-31 19:34:24
aylayl08(½ð±Ò+1):ллÌÖÂÛ 2010-05-31 19:44:58
%ÐС¢#ÐÐÖ®¼äÓÐÒ»¸ö¿ÕÐÐ
beefly¡¶Î÷̫ƽÑó´óѧÏÖ´úÓ¢ºº´Êµä¡·[bi:fli]Å£ÈâÒ»°ãµØ
5Â¥2010-05-30 11:29:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

kekexiliwolf

½ð³æ (ÕýʽдÊÖ)

Сƨ³æ

¡ï
zhaoxia2501(½ð±Ò+1): 2010-05-31 19:34:27
aylayl08(½ð±Ò+1):ллÌÖÂÛ 2010-05-31 19:44:52
ÄÚ´æÌ«Ð¡£¬
ÎÒÃÇÔÚΪÁËÎÄÕ¶ø¸ã¿ÆÑÐ
6Â¥2010-05-30 13:01:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

springxa

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
zhaoxia2501(½ð±Ò+1): 2010-05-31 19:34:31
aylayl08(½ð±Ò+1):ллÌÖÂÛ 2010-05-31 19:44:45
ÄãÕâ¸ö´íÎóÐÅÏ¢Ò»¿ªÊ¼¾Í½áÊøÁË£¬ËƺõÊÇÊäÈëÎļþÖÐÓеͼ¶´íÎó£¬Â¥Ö÷ÔÙ¼ì²éÒ»ÏÂ
7Â¥2010-05-30 16:30:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1319966104

гæ (³õÈëÎÄ̳)

¡ï
zhaoxia2501(½ð±Ò+1): 2010-05-31 19:34:33
aylayl08(½ð±Ò+1):ллÌÖÂÛ 2010-05-31 19:44:38
¸Ð¾õ¸úÊäÈëÎļþµÄ×ø±êû¹ØÏµ Ó¦¸ÃÊÇÄãµÄ±êÍ·³ö´í£¬Äã¿ÉÒÔÖð¸öɾ³ýÐÐÊÔÊÔ ¿´¿´´íÎóÔÚÄÄ
ÑÝÒᆱ²Ê
8Â¥2010-05-31 10:23:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bookworm11

Í­³æ (³õÈëÎÄ̳)

¡ï
zhaoxia2501(½ð±Ò+1): 2010-05-31 19:34:37
aylayl08(½ð±Ò+1):ллÌÖÂÛ 2010-05-31 19:44:31
Lnk1e³ö´í¾ÍÊÇ routineÊäÈëÓÐÎ󣬶øÇÒÑÏÖØ´íÎó£º# b3lyp/6-311g(d,p) nmr pop=(nbo,savenbo,full)
# ºóÓ¦¸Ã¼Ó p»òt
god help those who help themselves
9Â¥2010-05-31 12:11:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

czyzsu

ר¼Ò¹ËÎÊ (ÎÄ̳¾«Ó¢)


¡ï
zhaoxia2501(½ð±Ò+1): 2010-05-31 19:34:40
aylayl08(½ð±Ò+1):ллÌÖÂÛ 2010-05-31 19:44:22
Â¥Ö÷¿ÉÒÔÊÔһϣ¬½«%nproc=1ɾ³ý£»ÁíÍâ¼ÓÉÏnmr=giao
10Â¥2010-05-31 15:06:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ zhaoxia2501 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸085502£¬267·ÖÇóµ÷¼Á +9 ÔÙæҲҪ³Ô·¹°¡ 2026-04-08 10/500 2026-04-09 17:35 by СÑþéªÄÏ
[¿¼ÑÐ] µ÷¼Á +7 Ö»ÐðÀë±ð´Ç 2026-04-09 9/450 2026-04-09 16:58 by 1753564080
[ÂÛÎÄͶ¸å] ÇóÖúÎÄÏ×Ô­ÎÄ 10+3 18500821399 2026-04-08 3/150 2026-04-09 16:56 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] µ÷¼Á +12 JLLLLLLLLLL 2026-04-03 12/600 2026-04-09 16:14 by angeltong
[¿¼ÑÐ] 085404 293Çóµ÷¼Á +7 ÓÂÔ¶¿â°®314 2026-04-08 7/350 2026-04-09 16:02 by Öí»á·É
[¿¼ÑÐ] 0703×Ü·Ö331Çóµ÷¼Á +18 ZY-05 2026-04-04 22/1100 2026-04-09 09:09 by ŶŶ123
[¿¼ÑÐ] 328Çóµ÷¼Á +17 lftmya 2026-04-07 18/900 2026-04-09 08:05 by 5268321
[¿¼ÑÐ] 270Çóµ÷¼Á +3 031127 2026-04-06 4/200 2026-04-08 21:00 by ÄæË®³Ë·ç
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì320Çóµ÷¼Á£¬080500 +12 »Æ¹ÏζÊíÆ¬ 2026-04-06 12/600 2026-04-08 16:26 by luoyongfeng
[¿¼ÑÐ] 285Çóµ÷¼Á +7 ¶ñ·¨´ó¶þµÄÆøÎ¶ß 2026-04-05 10/500 2026-04-08 14:34 by zhq0425
[¿¼ÑÐ] 312Çóµ÷¼Á +4 Say Never 2026-04-04 4/200 2026-04-08 08:41 by barlinike
[¿¼ÑÐ] 11408 325·Ö +3 jgtxuxgkx 2026-04-07 3/150 2026-04-07 23:10 by lbsjt
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢319Çóµ÷¼Á£¨½ÓÊÜ¿çרҵµ÷¼Á£© +5 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-05 6/300 2026-04-07 22:16 by hemengdong
[¿¼ÑÐ] 22408 µ÷¼Á²ÄÁÏ +7 ÎÒ½Ðez 2026-04-06 8/400 2026-04-07 17:12 by À¶ÔÆË¼Óê
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +18 °¬Ö¾ºã 2026-04-03 19/950 2026-04-07 16:00 by Æð·ÉµÄ±ÈÐÜ1
[¿¼ÑÐ] ²ÄÁϹ¤³Ì310ר˶µ÷¼Á +14 ÀÌÀÌÎÒ¡­. 2026-04-04 15/750 2026-04-06 14:18 by lqwchd
[¿¼ÑÐ] Ò»Ö¾Ô¸ ½­ÄÏ´óѧ 085602 »¯¹¤×¨Ë¶ 338·ÖÇóµ÷¼Á +15 ·³ÕСç÷ 2026-04-05 15/750 2026-04-06 09:27 by cql1109
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +6 ioodiiij 2026-04-04 6/300 2026-04-05 10:09 by guoweigw
[¿¼ÑÐ] µ÷¼Á +4 ÊÇ¿ÉÀÖ²»ÊÇ¿ÉÀÖ 2026-04-04 4/200 2026-04-04 19:41 by ÌÆãå¶ù
[¿¼ÑÐ] 338Çóµ÷¼Á +4 zzz£¬£¬r 2026-04-03 4/200 2026-04-03 16:39 by lijunpoly
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û