Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 652  |  »Ø¸´: 6
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

emily66

Òø³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿ÓйØÃܶȷºº¯µÄ¼¸¸öСÎÊÌâ

¼±ÎÊ£ºÓÃB3LYP/3-21G*¼ÆËã³öµÄ¹ìµÀÄܵĵ¥Î»ÊÇʲô£¨µç×Ó·üÌØ»òÔ­×Óµ¥Î»£©£¿¼ÆËã³öµÄ¼ü³¤µÄµ¥Î»ÊÇʲôѽ£¿
»Ø¸´´ËÂ¥
ÎÞÂÛ´ÓʺÎÖÖ¹¤×÷£¬¶¼Ó¦µ±Âú»³¼¤ÇéÓëÈȰ®
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wanshidaji

Òø³æ (СÓÐÃûÆø)

¡ï ¡ï
lei0736(½ð±Ò+2,VIP+0):лл
¹ìµÀÄܵ¥Î»Hatree, ¼ü³¤µ¥Î»A
2Â¥2008-05-07 15:14:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

herosmzd

Òø³æ (ÕýʽдÊÖ)

¡ï
lei0736(½ð±Ò+1,VIP+0):лл
Â¥ÉÏÕý½â
Gaussian¼ÆËãµÄÄÜÁ¿µ¥Î»¶¼ÊÇHatree£¬¼ü³¤µÄµ¥Î»ÊÇÅ
3Â¥2008-05-07 15:38:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

±±¾©Ò»Ò¶567

ľ³æ (СÓÐÃûÆø)

¡ï
lei0736(½ð±Ò+1,VIP+0):лл
hatree and °£
4Â¥2008-05-07 23:34:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bingfei101

¡ï ¡ï
csfn(½ð±Ò+2,VIP+0):3q
Hatree ºÍA
1 Hartree = 627.51 kcal/mol
1 Hartree = 2625.5 kJ/mol
1 Hartree = 27.2116 eV
5Â¥2008-05-17 14:28:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ emily66 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷ÄÏ090202Çóµ÷¼Á +4 ÔÚÏßÇóÓÐѧÉÏ 2026-04-07 4/200 2026-04-07 19:47 by biomichael
[¿¼ÑÐ] »¯Ñ§¹¤³Ìµ÷¼Á289 +16 yangæÃ 2026-04-07 17/850 2026-04-07 17:22 by ¿É¿Ú¿ÉÀÖ²»¼Ó±ùØ
[¿¼ÑÐ] 307·Ö²ÄÁÏרҵÇóµ÷¼Á +9 Hllºú 2026-04-05 9/450 2026-04-07 16:41 by daiee
[¿¼ÑÐ] ѧ˶»¯Ñ§¹¤³ÌÓë¼¼Êõ£¬Ò»Ö¾Ô¸Öйúº£Ñó´óѧ320+Çóµ÷¼Á +9 ÅûÐÇºÓ 2026-04-02 9/450 2026-04-07 12:53 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 283Çóµ÷¼Á +18 A child 2026-04-04 18/900 2026-04-07 12:30 by 1018329917
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ó¢¶þÊý¶þÇóµ÷¼Á +4 À¶¼ãƬ 2026-04-06 4/200 2026-04-07 12:30 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤085601²ÄÁϹ¤³Ì303·ÖÇóµ÷¼Á +8 a1708 2026-04-06 8/400 2026-04-07 11:20 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] 334·Ö¿ØÖƹ¤³ÌÇóµ÷¼Á +4 ½ªÉÐÕæsadasd 2026-04-03 4/200 2026-04-07 09:26 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 312Çóµ÷¼Á +4 LR6 2026-04-06 4/200 2026-04-07 08:42 by jp9609
[¿¼ÑÐ] »úеר˶274Çóµ÷¼Á£¬²»ÌôרҵѧУ +6 ·º·º2333 2026-04-05 8/400 2026-04-06 18:06 by ·º·º2333
[¿¼ÑÐ] Ò»Ö¾Ô¸¹ú¿Æ´óÐŹ¤Ëù,Ó¢¶þÊý¶þ408×Ü·Ö293·ÖÇóµ÷¼Á +3 ilcyuan 2026-04-02 4/200 2026-04-06 16:35 by likeihood
[¿¼ÑÐ] Çóµ÷¼Á +5 wos666 2026-04-03 5/250 2026-04-06 10:13 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©086000µ÷¼ÁÒ»Ö¾Ô¸Î÷±±Å©ÁÖ320·Ö +3 ÃÀÃÀŮʿ 2026-04-03 3/150 2026-04-05 21:55 by ѧԱ8dgXkO
[¿¼ÑÐ] ¹¤¿Æ08-»úеר˶-Çóµ÷¼Á +3 À×Å··ÉÌß 2026-04-02 3/150 2026-04-05 18:49 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 328·Öµ÷¼Á +6 ÃÅmen 2026-04-04 6/300 2026-04-05 13:40 by imissbao
[¿¼ÑÐ] 083200 333Çóµ÷¼Á +3 Ê®¶þ£¡£¡ 2026-04-04 3/150 2026-04-05 08:28 by barlinike
[¿¼ÑÐ] 290Çóµ÷¼Á +7 luoziheng 2026-04-04 7/350 2026-04-04 23:17 by lqwchd
[¿¼ÑÐ] ½¨»·£¬ÄÜÔ´£¬ÍÁľÀÏʦ·¹ý¿´Ò»¿´£¡£¡£¡ +5 ºÙºÙuu 2026-04-01 5/250 2026-04-03 11:47 by znian
[¿¼ÑÐ] 309Çóµ÷¼Á +14 ´ô¹½²»ÊÇ´÷·ò 2026-04-02 14/700 2026-04-03 09:42 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸346ÉϺ£´óѧÉúÎïѧ +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-01 3/150 2026-04-02 08:36 by w³æ³æ123
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û