±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1808  |  »Ø¸´: 2

xieruobing

ľ³æ (ÖøÃûдÊÖ)

[ÇóÖú] Gaussian ¼ÆËãÕý³£½áÊø£¬¿ÉÊÇ£¬Gaussview´ò¿ªlog/outÎļþ³ö´í ÒÑÓÐ1È˲ÎÓë

Gaussian ¼ÆËãÕý³£½áÊø£¬¿ÉÊÇ£¬Gaussview´ò¿ªlog/outÎļþ³ö´í£¬Â·¹ýµÄ´óÅ££¬¿É·ñÖ¸µ¼Ð¡µÄÒ»ÏÂ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

xieruobing

ľ³æ (ÖøÃûдÊÖ)

Charge =  0 Multiplicity = 2ºÍCharge =  1 Multiplicity = 1¼ÆËãµÄHOMO£¬LUMO²î±ð
2Â¥2015-01-20 09:37:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chiweijie

½û³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
xieruobing: ½ð±Ò+20, ¡ïÓаïÖú 2015-03-15 11:24:03
±¾ÌûÄÚÈݱ»ÆÁ±Î

3Â¥2015-01-20 09:46:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xieruobing µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 292Çóµ÷¼Á +11 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 12/600 2026-03-27 08:45 by Delta2012
[˶²©¼ÒÔ°] ÕÐÊÕÉúÎïѧ/ϸ°ûÉúÎïѧµ÷¼Á +3 IceGuo 2026-03-26 4/200 2026-03-27 05:35 by user003
[¿¼ÑÐ] 349Çóµ÷¼Á +5 ½Ü˹ËþÀï˹ 2026-03-21 5/250 2026-03-27 00:31 by wxiongid
[¿¼ÑÐ] 341Çóµ÷¼Á +7 ÇàÄûÃÊ1 2026-03-26 7/350 2026-03-27 00:19 by wxiongid
[¿¼ÑÐ] 333Çóµ÷¼Á +6 wfh030413@ 2026-03-23 6/300 2026-03-26 22:45 by ѧԱ8dgXkO
[¿¼ÑÐ] 327Çóµ÷¼Á +7 prayer13 2026-03-23 7/350 2026-03-26 20:48 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 303Çóµ÷¼Á +7 ԪϦԪ 2026-03-20 8/400 2026-03-26 20:38 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 274Çóµ÷¼Á +14 ¹Ë¾ÅóÏҪǫÐé 2026-03-24 20/1000 2026-03-26 18:15 by ÀֺǺǵÄ×·ÃÎÈË
[¿¼ÑÐ] 085602»¯Ñ§¹¤³ÌÇóµ÷¼Á¡£ +4 ƽÀÖÀÖÀÖ 2026-03-26 4/200 2026-03-26 17:57 by fmesaito
[¿¼ÑÐ] 271Çóµ÷¼Á +6 ÉúÈçÏÄ»¨¡­ 2026-03-22 6/300 2026-03-26 16:48 by ÕÅ¿­Ê®°ËºÅ
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©Óʵç´óѧ 288·Ö ²ÄÁÏ¿¼ÑÐ Çóµ÷¼Á +3 jl0720 2026-03-26 3/150 2026-03-26 13:39 by zzll406
[¿¼ÑÐ] ×Ü·Ö293Çóµ÷¼Á +6 ¼ÓÒ»Ò»¾Å 2026-03-25 8/400 2026-03-26 13:30 by yujianx
[²ÄÁϹ¤³Ì] Ò»Ö¾Ô¸C9²ÄÁÏÓ뻯¹¤×¨Òµ×Ü·Ö300Çóµ÷¼Á +5 Âü111 2026-03-24 6/300 2026-03-26 13:04 by 13756423260
[¿¼ÑÐ] 299Çóµ÷¼Á +4 15188958825 2026-03-25 4/200 2026-03-25 22:56 by 418490947
[¿¼ÑÐ] Çóµ÷¼Á +3 QiMing7 2026-03-25 3/150 2026-03-25 21:13 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] ÉúÎïѧѧ˶Çóµ÷¼Á +7 СÑò˯×ÅÁË? 2026-03-23 10/500 2026-03-25 02:24 by Çå·ç·÷Ñï¡£ m
[¿¼ÑÐ] Çóµ÷¼Á +7 Ê®Èý¼ÓÓÍ 2026-03-21 7/350 2026-03-23 23:48 by ÈÈÇéɳĮ
[¿¼ÑÐ] Ò»Ö¾Ô¸¹ú¿Æ¹ý³ÌËù081700£¬274Çóµ÷¼Á +3 ÈýË®ÑÐ0Ë®Á¢·½ 2026-03-23 3/150 2026-03-23 23:11 by MajorWen
[¿¼ÑÐ] 269Çóµ÷¼Á +4 ÎÒÏë¶ÁÑÐ11 2026-03-23 4/200 2026-03-23 21:25 by pswait
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +5 Surekei 2026-03-21 5/250 2026-03-22 14:39 by tcx007
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û