Znn3bq.jpeg
²é¿´: 1516  |  »Ø¸´: 12

tiechong

½ð³æ (ÖøÃûдÊÖ)

[½»Á÷] ¡¾µ÷²é¡¿´ó¼ÒÓÖûÓÐÅöµ½¹ýÎÄÏ×ÀﱨµÀµÄ½á¹ûÖØ¸´²»³öÀ´µÄÇé¿ö ÒÑÓÐ8È˲ÎÓë

×î½üÓÅ»¯Ò»Ð©·Ö×Ó£¬international journal of quantum chemistry 2005ÄêºÍJournal of Molecular Graphics and Modelling 2010ÄêÀï·Ö±ð±¨µÀ¹ýÆäÖм¸¸ö·Ö×ÓÓÅ»¯µÄ¹¹ÐÍ£¬²»¹ýÎÒËãÀ´ËãÈ¥¶¼¸úÕâЩÈ˲»´óÒ»Ñù£¬¼´Ê¹ÎҰѳõʼ¹¹Ð͵÷µÄ¸úËûÃDz¶à×îºóÒ²»¹ÊÇÅܵ½ÎÒ×Ô¼ºµÄ¹¹ÐÍÀ´ÁË£¬

Èç¹ûÒÔºóдÔÚÎÄÕÂÀïµÄ»°£¬ ¸ÃÔõô½âÊÍÕâÖÖÇé¿ö±È½ÏºÏÀí£¬Ö±½Ó˵ÎÒ¸úXXÒÔ¼°XX²»Ò»ÑùÂï
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

qzhaosdu

½ð³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÓõÄÈí¼þºÍÈí¼þ°æ±¾ÊÇ·ñÒ»Ñù£¬Èç¹û²»Ò»Ñù£¬½á¹ûºÜ´ó³Ì¶ÈÉϲ»Ò»Ñù¡£
Anewday,anewhour,anewminute,anewpeople.
2Â¥2010-11-12 23:14:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

heyo_123

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
Originally posted by tiechong at 2010-11-12 22:51:11:
×î½üÓÅ»¯Ò»Ð©·Ö×Ó£¬international journal of quantum chemistry 2005ÄêºÍJournal of Molecular Graphics and Modelling 2010ÄêÀï·Ö±ð±¨µÀ¹ýÆäÖм¸¸ö·Ö×ÓÓÅ»¯µÄ¹¹ÐÍ£¬²»¹ýÎÒËãÀ´ËãÈ¥¶¼¸úÕâЩÈ˲»´óÒ»Ñù£¬¼´Ê¹ÎÒ°Ñ ...

¿Ï¶¨ÓÐÁË£¡
3Â¥2010-11-13 14:32:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ykwang

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ûÓÐÓöµ½¹ýÄã˵µÄÇé¿ö¡£²î±ðµ±È»»áÓе쬵«²»¿ÉÄܺÜÃ÷ÏÔ£¬·ñÔòÄãÍêÈ«¿ÉÒÔÏò×÷ÕßÌÖ¸ö˵·¨¡£
Nothing_Is_Impossible!
4Â¥2010-11-13 14:41:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dg0222076

Òø³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Èç¹û×÷Õß²»ÊÇÖйúÈË£¬ÓÈÆäÅ·ÃÀÈËÒ»°ã¿ÆÑÐ̬¶È½ÏÈÏÕæ£¬½á¹û´íÎó¿ÉÄÜÐÔС£¬¼ì²é×Ô¼ºÊÇ·ñ³ö´í¡£
5Â¥2010-11-13 14:51:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

manson1998

½ð³æ (ÖøÃûдÊÖ)

OLED´ïÈË

ÒýÓûØÌû:
Originally posted by dg0222076 at 2010-11-13 14:51:31:
Èç¹û×÷Õß²»ÊÇÖйúÈË£¬ÓÈÆäÅ·ÃÀÈËÒ»°ã¿ÆÑÐ̬¶È½ÏÈÏÕæ£¬½á¹û´íÎó¿ÉÄÜÐÔС£¬¼ì²é×Ô¼ºÊÇ·ñ³ö´í¡£

ÖйúµÄÕâô²»¿¿Æ×°¡¡£
ÐÊÐÊÏàϧÇé²»×Ô½û
6Â¥2010-11-13 15:21:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiechong

½ð³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by qzhaosdu at 2010-11-12 23:14:20:
ÓõÄÈí¼þºÍÈí¼þ°æ±¾ÊÇ·ñÒ»Ñù£¬Èç¹û²»Ò»Ñù£¬½á¹ûºÜ´ó³Ì¶ÈÉϲ»Ò»Ñù¡£

°³ÓõÄÊÇgaussian 09£¬ÎÄÕÂÀïдµÄÊÇgaussian 03, Õâ¸öÓ¦¸Ã²»ÖÁÓÚµ¼ÖÂÌ«´óµÄ²î±ð°É
7Â¥2010-11-14 05:57:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiechong

½ð³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by heyo_123 at 2010-11-13 14:32:19:

¿Ï¶¨ÓÐÁË£¡

¿Ï¶¨ÓÐɶ£¿
8Â¥2010-11-14 05:58:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiechong

½ð³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by ykwang at 2010-11-13 14:41:59:
ûÓÐÓöµ½¹ýÄã˵µÄÇé¿ö¡£²î±ðµ±È»»áÓе쬵«²»¿ÉÄܺÜÃ÷ÏÔ£¬·ñÔòÄãÍêÈ«¿ÉÒÔÏò×÷ÕßÌÖ¸ö˵·¨¡£

×î´óÎó²î´ïµ½1AÀ²£¬²»ÖªµÀÊÇÕ¦»ØÊÂ

±ÈÈçÎÒËãÁËÊǸöÆ½Ãæ·Ö×Ó£¬ÎÄÕÂÀï˵ÊǸöŤÇúÁ˵쬶øÇÒÆ«ÀëÆ½Ãæ´ïµ½1AÁË
9Â¥2010-11-14 06:01:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ykwang

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by tiechong at 2010-11-14 06:01:00:


×î´óÎó²î´ïµ½1AÀ²£¬²»ÖªµÀÊÇÕ¦»ØÊÂ

±ÈÈçÎÒËãÁËÊǸöÆ½Ãæ·Ö×Ó£¬ÎÄÕÂÀï˵ÊǸöŤÇúÁ˵쬶øÇÒÆ«ÀëÆ½Ãæ´ïµ½1AÁË

1. ¶à´óµÄ·Ö×Ó£¿Èç¹ûÊÇÆ½Ãæ·Ö×ÓÇҳ߶Ⱥܴó£¬ÄÇô¼ÆËã½á¹û»á·¢ÏÖÆ½ÃæÓÐËùÍäÇú£¬Ô­ÒòÔÚÓÚͨ³£µÄ¼ÆËãÖÐûÓп¼ÂÇÔ¶³Ì×÷Óá£
2. ¼ÆËãÖаüº¬²»°üº¬ÈܼÁЧӦ£¿Gaussian09ÖÐÈܼÁ²ÎÊýÓë03²»Í¬£¬Òò´Ë°üº¬ÈܼÁЧӦʱÁ½ÕßµÄÓÅ»¯½á¹û»áÓнϴó²î±ð¡£
3. ÈçÓл³ÒÉ£¬»¹Êǽ¨ÒéÓÃGaussian03À´Öظ´ÎÄÏ׵Ľá¹û¡£

[ Last edited by ykwang on 2010-11-14 at 06:25 ]
Nothing_Is_Impossible!
10Â¥2010-11-14 06:11:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ tiechong µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁϹ¤³Ì085601£¬270Çóµ÷¼Á +35 @ASDF1234 2026-04-08 37/1850 2026-04-13 01:18 by ÐÒÃâ ..
[¿¼ÑÐ] ҩѧÇóµ÷¼Á +3 RussHu 2026-04-12 4/200 2026-04-12 17:49 by ³ÂƤƤ
[¿¼ÑÐ] 296Çóµ÷¼Á +14 Íô£¡£¿£¡ 2026-04-08 15/750 2026-04-11 20:28 by dongdian1
[¿¼ÑÐ] 270Çóµ÷¼Á +14 ÑîÀÖ369 2026-04-11 14/700 2026-04-11 20:16 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 346£¬¹¤¿Æ0854Çóµ÷¼Á£¬×¨Ë¶ +7 moser233 2026-04-10 8/400 2026-04-11 08:52 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +23 ŬÁ¦·Ü¶·112 2026-04-08 23/1150 2026-04-10 23:29 by 314126402
[¿¼ÑÐ] 291 Çóµ÷¼Á +29 »¯¹¤2026½ì±ÏÒµÉ 2026-04-09 29/1450 2026-04-10 22:55 by dick_runner
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£©×ö¹ý·Ö×ÓʵÑé +8 ÏàÐűػá¹ââÍòÕ 2026-04-07 9/450 2026-04-10 21:03 by zhouxiaoyu
[¿¼ÑÐ] 287Çóµ÷¼Á +15 Fnhc 2026-04-07 21/1050 2026-04-10 19:09 by chemisry
[¿¼ÑÐ] 273Çóµ÷¼Á +51 ÂóС¶£µ± 2026-04-06 58/2900 2026-04-10 15:54 by jiajinhpu
[¿¼ÑÐ] Çóµ÷¼Á ²ÄÁÏÓ빤³Ì 324·Ö ר˶ +19 ôæôæÒ»ÊéÉú 2026-04-10 21/1050 2026-04-10 11:41 by wp06
[¿¼ÑÐ] ²ÄÁÏר˶³õÊÔ·Ö332Ò»Ö¾Ô¸Î÷±±¹¤Òµ´óѧ£¬ +12 ¹ÊÈË?? 2026-04-09 12/600 2026-04-09 18:34 by Ccclqqq
[¿¼ÑÐ] 337Çóµ÷¼Á +4 Gky09300550£¬ 2026-04-09 4/200 2026-04-09 17:18 by ÅÁ¶ûÂíÀ­ÌØ
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +12 СÁõͬѧ߹߹ 2026-04-06 13/650 2026-04-09 17:07 by luoyongfeng
[¿¼ÑÐ] Çóµ÷¼Á +3 ÖíÈâ¶Õ·ÛÌõcc 2026-04-08 4/200 2026-04-09 10:05 by ÖíÈâ¶Õ·ÛÌõcc
[¿¼ÑÐ] 353Çóµ÷¼Á +8 Çç¿ÕÍòÀïair 2026-04-07 8/400 2026-04-09 00:18 by GouQ
[¿¼ÑÐ] »úе¹¤³Ì313·ÖÕÒ¹¤¿Æµ÷¼Á +3 ˫һÁ÷±¾¿Æ»úе 2026-04-08 3/150 2026-04-08 20:41 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á 348·Ö +14 °¦ÎÒ³¬ÕæÃ»ÕÐÁË 2026-04-06 15/750 2026-04-08 19:16 by ÎÒ¼õ·Ê1
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó£¬³õÊÔ329£¬Çó»·¾³¿ÆÑ§Ó빤³Ìµ÷¼Á£¡ +11 ÓàδÐÁ 2026-04-06 11/550 2026-04-08 15:21 by screening
[¿¼ÑÐ] ÉúÎïѧ363µ÷¼ÁÇóÖú +7 fanzhang6666 2026-04-06 9/450 2026-04-07 17:37 by lijunpoly
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û