Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1762  |  »Ø¸´: 3

mophyworld

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] Ôõô»­ bond-distance¼°ÄÜÁ¿µÄÇúÏß°¡£¬ÎÄÏ×É϶¨ÒåΪdissociation curve£¬¸üÏñÊÇÊÆÄÜͼ

ÔÚÎÄÏ×ÉÏ¿´µ½ÕâÑùµÄͼ£¬²»ÖªµÀ¾ßÌåÊÇÔõô¼ÆËãµÄ¡£»­Í¼Ó¦¸Ã²»ÊÇʲô´óÎÊÌ⣬ϣÍûÓÐÈËÄÜÖ¸µãÖ¸µã


[ Last edited by mophyworld on 2011-4-26 at 12:33 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

hexinchem

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

mophyworld(½ð±Ò+20): ºÃµÄ£¬ÎÒÊÔÊÔ¿´£¬O(¡É_¡É)Oлл£¡ 2011-04-26 14:48:27
Õâ¸ö¾ÍÊǼü³¤¶ÈºÍÄÜÁ¿µÄ¹ØÏµ°É£¬ÊÆÄÜÃæÉ¨Ãè¾Í¿ÉÒÔ×ö°É
2Â¥2011-04-26 12:59:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yongma2008

ľ³æ (ÖøÃûдÊÖ)

ÂÛÎÄ£¿¿à£¡Ö÷¡£

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸øÄãÒ»¸ö×î¼òµ¥µÄÀý×Ó£¬ËãÍêÁËÖ®ºóÔÚ¸ß˹view-results-scanÀï¿ÉÒÔÖ±½Ó¿´µ½ÄãÏëÒªµÄͼ¡£

%chk=dft.chk
#p b3lyp/6-31G opt=modredundant nosymm

Title Card Required

0 1
H        0.00000000    0.00000000    0.00000000
H        0.00000000    0.50000000    0.00000000

B 1 2 S 100 0.1
3Â¥2011-04-28 15:47:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nlwxp

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by yongma2008 at 2011-04-28 15:47:32:
¸øÄãÒ»¸ö×î¼òµ¥µÄÀý×Ó£¬ËãÍêÁËÖ®ºóÔÚ¸ß˹view-results-scanÀï¿ÉÒÔÖ±½Ó¿´µ½ÄãÏëÒªµÄͼ¡£

%chk=dft.chk
#p b3lyp/6-31G opt=modredundant nosymm

Title Card Required

0 1
H        0.00000000    0.00 ...

ÇëÎÊÄú¿ÉÒÔ°ïæ×ö¸ö¸ß˹¼ÆËãÂð£¿
4Â¥2011-04-29 16:48:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ mophyworld µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤×¨Ë¶329 Çóµ÷¼Á +19 ¶îcc 2026-04-06 20/1000 2026-04-08 15:29 by screening
[¿¼ÑÐ] һ־Ըɽ¶«´óѧ»¯Ñ§Ó뻯¹¤Ñ§Ôº²ÄÁÏÓ뻯¹¤×¨Ë¶£¬360·ÖÇóµ÷¼Á +5 ²»Ô¸Í¸Â¶ÐÕÃûµÄË 2026-04-02 5/250 2026-04-08 15:28 by screening
[¿¼ÑÐ] 327Çóµ÷¼Á +11 Xxjc1107. 2026-04-06 11/550 2026-04-08 12:37 by yongzhesheng
[¿¼ÑÐ] »¯Ñ§¹¤³Ìµ÷¼Á289 +24 yangæÃ 2026-04-07 25/1250 2026-04-08 11:39 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +11 ŬÁ¦·Ü¶·112 2026-04-08 11/550 2026-04-08 11:11 by lijunpoly
[¿¼ÑÐ] ÉúÎïÒ½Ò©µ÷¼Á£üSCIÖпÆÔºÈýÇøÒ»×÷+¶àÏî¿ÆÑгɹû +8 likangxing 2026-04-07 11/550 2026-04-08 00:02 by lys0704
[¿¼ÑÐ] 085600£¬321·ÖÇóµ÷¼Á +14 ´ó²öС×Ó 2026-04-04 15/750 2026-04-06 22:58 by qlm5820
[¿¼ÑÐ] »ªÄÏÀí¹¤0703»¯Ñ§£¬×Ü·Ö336Çóµ÷¼Á +10 ÊÖ»úÓû§ 2026-04-03 11/550 2026-04-06 22:20 by michael2011
[¿¼ÑÐ] 26×ÔÈ»µØÀíѧ303·ÖÇóµ÷¼Á +4 Ò»Õ½³É˶°¡°¡°¡° 2026-04-06 9/450 2026-04-06 20:35 by lin-da
[¿¼ÑÐ] 269µç×ÓÐÅÏ¢Çóµ÷¼Á£¬¿Éתרҵ +5 ¶À×Ãwl 2026-04-06 5/250 2026-04-06 17:23 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 296Çóµ÷¼Á +3 Íô£¡£¿£¡ 2026-04-05 4/200 2026-04-05 20:13 by à£à£à£0119
[¿¼ÑÐ] 0860 Çóµ÷¼Á Ò»Ö¾Ô¸¹ú¿Æ´ó 348 ·Ö +3 WiiiP 2026-04-03 3/150 2026-04-05 17:43 by Ecowxq666£¡
[¿¼ÑÐ] 358Çóµ÷¼Á +7 Çïgk 2026-04-04 7/350 2026-04-05 13:29 by huangmoli
[¿¼ÑÐ] 297Çóµ÷¼Á +11 ljy20040718£¡ 2026-04-03 13/650 2026-04-04 09:23 by À´¿´Á÷ÐÇÓê10
[¿¼ÑÐ] 266Çóµ÷¼Á +8 ѧԱ97LZgn 2026-04-03 8/400 2026-04-04 09:02 by 20021109
[¿¼ÑÐ] ѧ˶288µ÷¼Á!!! +3 СÍõxw123 2026-04-03 3/150 2026-04-03 21:20 by à£à£à£0119
[¿¼ÑÐ] 286Çóµ÷¼Á +8 lim0922 2026-04-02 8/400 2026-04-03 20:19 by rzh123456
[¿¼ÑÐ] 293Çóµ÷¼Á +5 ĩδmm 2026-04-02 6/300 2026-04-03 15:20 by Íõ±£½Ü33
[¿¼ÑÐ] ר˶085601Çóµ÷¼Á +7 suyifei 2026-04-03 8/400 2026-04-03 14:00 by ÐÀϲ777
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +11 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 11/550 2026-04-02 10:52 by lnilvy
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û