Znn3bq.jpeg
²é¿´: 34730  |  »Ø¸´: 724
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û254´Î£¬×÷ÕßbeeflyÔö¼Ó½ð±Ò 200.6 ¸ö

[×ÊÔ´] Gaussian09ÖÐÎÄÓû§²Î¿¼ÊֲᣨPDF£¬DOC£©

pdfÎļþ¼û±¾µØÏÂÔØ

pdfºÍwordÎļþÒ²¿ÉÒÔ´ÓÕâÀïÏÂÔØ£º
http://people.smu.edu/wzou/qcsc/manuals/gaussian/index.html

ÖØÐ·­ÒëµÄ¹ý³ÌÖУ¬·¢ÏÖ03°æÓкܶà´íÎ󣬵«ÊÇûÓÐʱ¼ä¸ÄÁË¡£¶Á03°æµÄʱºòÇë²Î¿¼Ô­ÎÄ¡£[ Last edited by beefly on 2011-8-1 at 08:45 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Èí¼þÏÂÔØ¡¾ÆÆ½â°æ¡¿ ·ÂÕæ½¨Ä£Óë¼ÆËã Vibrational Spectroscopy: Raman and IR Á¿»¯Ñ§Ï°×ÊÁÏ
Óлú×ÊÔ´ ÎÄÏ××ÊÁÏÓÐÓÃµÄ ËæÊÖ³­ Á¿»¯¸¨µ¼
gaussian09 ¼ÆËã xuexijisuan »¯Ñ§ÒÇÆ÷Èí¼þѧϰ½Ì³Ì
Á¿×Ó»¯Ñ§ ÓÐÓõÄ×ÊÔ´£¨¸÷·½Ã棩 ¿ÆÑй¤¾ßÈí¼þ¼°½Ì³Ì Á¿×Ó»¯Ñ§ºÍ¼ÆË㻯ѧ
ÀíÂÛ¼ÆËã

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
»ØÌûÖ§³Ö ( ÏÔʾ֧³Ö¶È×î¸ßµÄǰ 50 Ãû )

Ò½ÎÞÖ¹¾³

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

лÁ˰¡¡£ÉæÈëÈ«ÐÂÁìÓò£¬ÍêÈ«¿¿Ñ§Ï°ÖÐ
3Â¥2011-08-01 09:00:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

375642546

ľ³æ (ÕýʽдÊÖ)


Õâ¸ö±ØÐë¶¥ 03µÄʱºò¾ÍÊÇ¿´zorkÖÐÎİæµÄ
411Â¥2014-11-15 15:18:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
ÆÕͨ»ØÌû

zhangguangping

ľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ÒýÓûØÌû:
1Â¥: Originally posted by beefly at 2011-08-01 01:39:01:
pdfÎļþ¼û±¾µØÏÂÔØ

pdfºÍwordÎļþÒ²¿ÉÒÔ´ÓÕâÀïÏÂÔØ£º
http://people.smu.edu/wzou/qcsc/manuals/gaussian/index.htmlÖØÐ·­ÒëµÄ¹ý³ÌÖУ¬·¢ÏÖ03°æÓкܶà´í ...

ÏÖÔÚ»¹ÓÐʱ¼äŪÕâ¸ö°¡£¡¶¥£¡
2Â¥2011-08-01 08:44:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

043114076

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

zork ÊÇLZÂð
10Â¥2011-08-02 10:37:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chenxj8379

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

·Ç³£¸Ðл¥ÖÁ
16Â¥2011-08-02 14:15:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÇïÓê×Ó

½ð³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

·Ç³£¸Ðл£¡ºðºð£¡
18Â¥2011-08-03 09:19:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Àî½µÁØ

½ð³æ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

ÊÕÏÂѧϰѧϰ

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
26Â¥2011-08-09 22:39:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

oyljw

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¾ÍÊÇ           ºÜÅ£X
27Â¥2011-08-10 20:13:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÇóѧÕß@·ï×Ó

ľ³æ (СÓÐÃûÆø)


¡ï¡ï¡ï ÈýÐǼ¶,Ö§³Ö¹ÄÀø

·Ç³£¸Ðл£¡£¡£¡£¡
34Â¥2011-08-14 10:53:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

pyy39518768

ľ³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Ê®·Ö¸Ðл
36Â¥2011-08-18 14:34:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangsong8836

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

xiexie
37Â¥2011-08-24 13:49:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

rainandstar

Òø³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

·Ç³£¸Ðлbeefly
44Â¥2011-08-31 19:08:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

oyljw

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)


ºÜºÃ£¡
47Â¥2011-09-01 12:41:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

elwang

½ð³æ (СÓÐÃûÆø)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

лл°¡
49Â¥2011-09-01 15:27:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

15064003012

½ð³æ (ÕýʽдÊÖ)


Ìû×ÓÕæ¾«²Ê!
ÒѾ­ÊÕ¼µ½ÌÔÌùר¼­¡¶ÓÐÓõÄ×ÊÔ´£¨¸÷·½Ã棩¡·
50Â¥2011-09-01 16:18:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
2011-08-01 09:59   »Ø¸´  
ÎåÐÇºÃÆÀ  ¸Ðл·ÖÏí£¡
gmy19905Â¥
2011-08-01 10:24   »Ø¸´  
ÎåÐÇºÃÆÀ  Ð»Ð»·ÖÏí£¡
Quan.6Â¥
2011-08-02 07:38   »Ø¸´  
ÎåÐÇºÃÆÀ  Ð»Ð»·ÖÏí£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡£¡
2011-08-02 08:32   »Ø¸´  
ÎåÐÇºÃÆÀ  Ð»Ð»·ÖÏí
rain278Â¥
2011-08-02 09:17   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-08-02 09:50   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ckg11Â¥
2011-08-02 11:12   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
documents12Â¥
2011-08-02 11:50   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
06605013Â¥
2011-08-02 12:04   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zsj101214Â¥
2011-08-02 12:45   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-08-02 13:28   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
bluestar963717Â¥
2011-08-02 16:33   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
tzllnnk19Â¥
2011-08-03 09:50   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhongyesheng20Â¥
2011-08-03 10:11   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
guozhu602421Â¥
2011-08-03 10:27   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
nql537941522Â¥
2011-08-03 10:31   »Ø¸´  
ÎåÐÇºÃÆÀ  
daiyulan8523Â¥
2011-08-03 11:03   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
xinji24Â¥
2011-08-04 09:52   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
snu25Â¥
2011-08-09 15:55   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ellemiu28Â¥
2011-08-11 10:51   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dfli198029Â¥
2011-08-11 15:35   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
00qiushi30Â¥
2011-08-12 09:35   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
lixn24631Â¥
2011-08-12 14:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
major01632Â¥
2011-08-12 15:18   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hq201033Â¥
2011-08-13 17:22   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hxliu_201035Â¥
2011-08-16 15:49   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
kaletoppest38Â¥
2011-08-24 16:05   »Ø¸´  
ÎåÐÇºÃÆÀ  Ð»Ð»·ÖÏí
dengjiaoss39Â¥
2011-08-24 20:54   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
lovechem40Â¥
2011-08-25 22:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-08-30 02:45   »Ø¸´  
ÎåÐÇºÃÆÀ  
tswangan42Â¥
2011-08-30 06:27   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
emmaxue43Â¥
2011-08-31 17:03   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-09-01 11:30   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
oyljw46Â¥
2011-09-01 12:30   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2011-09-01 13:03   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ beefly µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó 085600 277 12²Ä¿Æ»ùÇóµ÷¼Á 5+5 chenny174 2026-04-10 32/1600 2026-04-12 23:56 by BruceLiu320
[½Ìʦ֮¼Ò] ɽ¶«Ë«·ÇԺУ¿¼ºË³¬¼¶ÎÞµ×Ïߣ¬Áìµ¼ÐÒÔÖÀÖ»ö£¬½ÌʦÔâÑê¿Ö +3 qut2026 2026-04-11 7/350 2026-04-12 20:24 by qut2026
[¿¼ÑÐ] Ò»Ö¾Ô¸2110£¬»¯Ñ§Ñ§Ë¶310·Ö£¬±¾¿ÆÖصãË«·ÇÇóµ÷¼Á +19 ŬÁ¦·Ü¶·112 2026-04-08 19/950 2026-04-12 17:01 by lhj2009
[¿¼ÑÐ] Çóµ÷¼Á£¬262»úеר˶ +8 àÅyyl 2026-04-08 8/400 2026-04-12 02:31 by Çï¶¹²ËÑ¿
[¿¼ÑÐ] 327Çóµ÷¼Á +5 ʰ¹âÈÎȾ 2026-04-06 5/250 2026-04-12 02:29 by Çï¶¹²ËÑ¿
[¿¼ÑÐ] 359Çóµ÷¼Á +5 θ¾·ÂÎÀÛÁË 2026-04-11 5/250 2026-04-11 19:55 by lbsjt
[¿¼ÑÐ] Çóµ÷¼Á +10 Á§ÜÔÒ»¶¨Éϰ¶ 2026-04-10 10/500 2026-04-11 13:31 by 1005715100
[¿¼ÑÐ] »¯Ñ§308·ÖÇóµ÷¼Á +22 ÄãºÃÃ÷ÌìÄãºÃ 2026-04-07 24/1200 2026-04-11 11:14 by ChemPharm
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +16 Ò¶zilin 2026-04-10 16/800 2026-04-11 11:04 by may_ÐÂÓî
[¿¼ÑÐ] ²ÄÁÏÀà284µ÷¼Á +40 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 48/2400 2026-04-10 23:28 by 314126402
[¿¼ÑÐ] 0858Çóµ÷¼Á 5+5 Gky09300550£¬ 2026-04-10 8/400 2026-04-10 19:13 by chemisry
[¿¼ÑÐ] 071000ÉúÎïѧµ÷¼ÁÇóÖú +17 zzzzwww 2026-04-09 20/1000 2026-04-10 15:55 by Çóµ÷¼Ázz
[¿¼ÑÐ] 301Çóµ÷¼Á +5 149. 2026-04-10 5/250 2026-04-10 15:45 by ²ñС°×
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷½»»úеר˶Çóµ÷¼Á +8 ÇóÉϰ¶µÄСÍõ 2026-04-10 8/400 2026-04-10 15:09 by hemengdong
[¿¼ÑÐ] µ÷¼ÁÉêÇë086000Ò»Ö¾Ô¸Î÷±±Å©ÁֿƼ¼´óѧÉúÎïÓëÒ½Ò©320·Ö-±¾¿ÆÆë³¹¤Òµ´óѧ +3 ÃÀÃÀŮʿ 2026-04-09 3/150 2026-04-10 10:31 by liuhuiying09
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +21 ²»ÖªÃûµÄСئ 2026-04-08 21/1050 2026-04-09 18:55 by l_paradox
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á£¬Ò»Ö¾Ô¸Î÷ÄÏ´óѧ348£¬TopÆÚ¿¯Ò»Çø¶þ×÷¡¢¶þÇøÈý×÷£¬ÈýµÈ½±Ñ§½ðÈý´Î +4 candyyyi 2026-04-09 4/200 2026-04-09 18:39 by l_paradox
[¿¼ÑÐ] 265Çóµ÷¼Á +19 Сľ³æ085600 2026-04-06 21/1050 2026-04-08 10:38 by ÄæË®³Ë·ç
[¿¼ÑÐ] 304Çóµ÷¼Á +10 ËØÄê¼ÀÓï 2026-04-06 17/850 2026-04-08 09:05 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁϹ¤³ÌרҵÈÕÓïÉúÇóµ÷¼Á +9 111623 2026-04-07 9/450 2026-04-07 23:31 by Ò»Ö»ºÃ¹û×Ó?
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û