±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1399  |  »Ø¸´: 7

C_X_L

½ð³æ (СÓÐÃûÆø)

Ñ©

[ÇóÖú] ÌåϵUVÆ×µÄ¶Ô³ÆÐÔÎÊÌâÇó½âÊÍ ÒÑÓÐ1È˲ÎÓë

ÔÚ¼ÆËãÌåϵUVÆ×ʱ£¬ÔÚÊä³öÎļþÖгöÏÖµÄSGGºÍSGUÕâÀà×ÖĸÊÇ´ú±í¹ìµÀµÄ¶Ô³ÆÐÔÂ𣿴Óʲô×ÊÁÏÄܹ»Á˽âÕâÀà×Öĸ×éºÏµÄ¾ßÌ庬Ò壿  ¶Ô³ÆÐÔSinglet-?SymÖÐΪʲô»áÓÐÎʺţ¬£¿SymÊÇʲôÒâ˼£¬Çó½â´ð
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÇóÖªÇó½â
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+1 2014-07-03 21:03:55
C_X_L: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2014-07-09 21:50:17
SGGºÍSGU³öÏÖÔÚÄÄÀ
£¿symÕâ¿éµØ·½Ó¦¸ÃÏÔʾµÄÊǿռä¶Ô³ÆÐÔ£¬£¿sym±íʾµÄÒâ˼ÎÒÈÏΪÊÇϵͳÎÞ·¨ÅжϴË̬µÄ¶Ô³ÆÐÔ¡£
2Â¥2014-07-03 13:43:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

C_X_L

½ð³æ (СÓÐÃûÆø)

Ñ©

ÒýÓûØÌû:
2Â¥: Originally posted by ǹÏÂÓλê at 2014-07-03 13:43:31
SGGºÍSGU³öÏÖÔÚÄÄÀ
£¿symÕâ¿éµØ·½Ó¦¸ÃÏÔʾµÄÊǿռä¶Ô³ÆÐÔ£¬£¿sym±íʾµÄÒâ˼ÎÒÈÏΪÊÇϵͳÎÞ·¨ÅжϴË̬µÄ¶Ô³ÆÐÔ¡£

Orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (PIU)
       Virtual   (PIU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGU)
                 (PIG) (PIG) (SGG) (SGU)
ÎÒÏëÖªµÀSGG¡¢SGU¾ßÌå´ú±íʲôÒÔ¼°ËûÃÇÖ®¼äµÄ¹ØÏµ
ÇóÖªÇó½â
3Â¥2014-07-03 14:05:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

¡ï
gmy1990: ½ð±Ò+1 2014-07-03 21:04:06
ÒýÓûØÌû:
3Â¥: Originally posted by C_X_L at 2014-07-03 14:05:53
Orbital symmetries:
       Occupied  (SGG) (SGU) (SGG) (PIU)
       Virtual   (PIU) (PIG) (PIG) (SGU) (SGG) (PIU) (PIU) (SGU)
                 (PIG) (PIG) (SGG) (SGU)
ÎÒÏëÖªµÀSGG¡¢SGU¾ßÌå´ú±íʲô ...

ÎÒµÄÀí½âÊÇÕâÑù£º
ÎÒ½²Á½¸ö£¬ÄãÓ¦¸Ã¾Í¶®ÁË
SG-G£º sigma-gerade
PI-U£º pi-ungarede
4Â¥2014-07-03 14:18:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

C_X_L

½ð³æ (СÓÐÃûÆø)

Ñ©

ÒýÓûØÌû:
4Â¥: Originally posted by ǹÏÂÓλê at 2014-07-03 14:18:38
ÎÒµÄÀí½âÊÇÕâÑù£º
ÎÒ½²Á½¸ö£¬ÄãÓ¦¸Ã¾Í¶®ÁË
SG-G£º sigma-gerade
PI-U£º pi-ungarede...

sigma-gerade±íʾsigma¶Ô³Æ£¬PI¡ªU±íʾPI·Ç¶Ô³Æ£¿Õâ¸öÌý˵¹ý£¬µ«²»ÊǺÜÃ÷°×¡£ÇëÎÊÄúÄÜ·ñ¸øÎÒÍÆ¼ö¸öÍøÕ¾»ò×ÊÁÏ£¬ÈÃÎÒ¾ßÌåѧϰһÏÂ...
ÇóÖªÇó½â
5Â¥2014-07-05 12:46:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by C_X_L at 2014-07-05 12:46:43
sigma-gerade±íʾsigma¶Ô³Æ£¬PI¡ªU±íʾPI·Ç¶Ô³Æ£¿Õâ¸öÌý˵¹ý£¬µ«²»ÊǺÜÃ÷°×¡£ÇëÎÊÄúÄÜ·ñ¸øÎÒÍÆ¼ö¸öÍøÕ¾»ò×ÊÁÏ£¬ÈÃÎÒ¾ßÌåѧϰһÏÂ......

ungaredeÓ¦¸ÃÊÇ·´¶Ô³Æ
6Â¥2014-07-06 09:16:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

C_X_L

½ð³æ (СÓÐÃûÆø)

Ñ©

ÒýÓûØÌû:
6Â¥: Originally posted by ǹÏÂÓλê at 2014-07-06 09:16:47
ungaredeÓ¦¸ÃÊÇ·´¶Ô³Æ...

ÎÒ¿´¹ýÕâôһ¾ä»°£¬¹ìµÀ1ÊÇB3U£¬¹ìµÀ11ÊÇB2U£¬µç×Ó´Ó¹ìµÀ1ԾǨµ½¹ìµÀ11ñîºÏºóΪB1U£¬ÇëÎÊÕâÊÇÈçºÎµÃµ½µÄ£¬ÊDz»ÊÇñîºÏÓÐʲô¹«Ê½Ö®ÀàµÄ£¿ÎÒÏëÁ˽âһϹìµÀÉϵç×Ó¸÷ÖֶԳƵÄÃ÷È·Òâ˼£¬ÒÔ¼°ÔõôÄÜÅжÏñîºÏÖ®ºóµÄ¶Ô³ÆÀàÐÍ£¿
ÇóÖªÇó½â
7Â¥2014-07-06 22:27:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
7Â¥: Originally posted by C_X_L at 2014-07-06 22:27:18
ÎÒ¿´¹ýÕâôһ¾ä»°£¬¹ìµÀ1ÊÇB3U£¬¹ìµÀ11ÊÇB2U£¬µç×Ó´Ó¹ìµÀ1ԾǨµ½¹ìµÀ11ñîºÏºóΪB1U£¬ÇëÎÊÕâÊÇÈçºÎµÃµ½µÄ£¬ÊDz»ÊÇñîºÏÓÐʲô¹«Ê½Ö®ÀàµÄ£¿ÎÒÏëÁ˽âһϹìµÀÉϵç×Ó¸÷ÖֶԳƵÄÃ÷È·Òâ˼£¬ÒÔ¼°ÔõôÄÜÅжÏñîºÏÖ®ºóµÄ¶Ô³ÆÀà ...

ÄÇ¿ÉÄܼ¤·¢Ì¬Ï´˹ìµÀµÄ¶Ô³ÆÐÔÓÐËù¸Ä±ä£¬¼´½á¹¹Óб仯ÁË¡£Õâ¸öÎÒÒ²²»¶®£¬ÄãÐèҪȥ¿´Ò»ÏÂȺÂÛµÄÏà¹ØÖªÊ¶
8Â¥2014-07-07 09:24:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ C_X_L µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¶û±õ¹¤Òµ´óѧ²ÄÁÏÓ뻯¹¤·½Ïò336·Ö +4 ³½ãå5211314 2026-03-26 4/200 2026-03-27 15:21 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 0703»¯Ñ§ +3 ÄÝÄÝninicgb 2026-03-27 3/150 2026-03-27 14:47 by ×íÔÚ·çÀï
[¿¼ÑÐ] 311Çóµ÷¼Á +7 lin0039 2026-03-26 7/350 2026-03-27 12:42 by ¹û¹ûÂèßä
[¿¼ÑÐ] Äϲý´óѧ²ÄÁÏר˶311·ÖÇóµ÷¼Á +10 77chaselx 2026-03-20 10/500 2026-03-27 11:28 by wangjy2002
[¿¼ÑÐ] µ÷¼Á +3 Àî¼Îͼ¡¤S¡¤Â· 2026-03-27 3/150 2026-03-27 11:19 by wangjy2002
[¿¼ÑÐ] Çóµ÷¼Á +6 ÁÖ֮Ϧ 2026-03-24 6/300 2026-03-27 08:38 by hypershenger
[¿¼ÑÐ] 351Çóµ÷¼Á +4 Âó¿Ë°¢ÀÚ 2026-03-24 4/200 2026-03-27 00:32 by wxiongid
[¿¼ÑÐ] 321Çóµ÷¼Á +6 wasdssaa 2026-03-26 6/300 2026-03-26 20:57 by sanrepian
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§Ñ§Ë¶307Çóµ÷¼Á +8 y7czhao 2026-03-26 8/400 2026-03-26 19:51 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ÉúÎïѧѧ˶£¬Ò»Ö¾Ô¸ºþÄÏ´óѧ£¬³õÊԳɼ¨338 +4 YYYYYNNNNN 2026-03-26 4/200 2026-03-26 19:00 by macy2011
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +3 LiÀîÓã 2026-03-26 3/150 2026-03-26 18:32 by Ìá³ö·½·¨µÄÌá³öº
[¿¼ÑÐ] 291 Çóµ÷¼Á +7 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 8/400 2026-03-26 11:25 by AlenQIN.
[¿¼ÑÐ] ÉúÎï¼¼ÊõÓ빤³Ì +3 1294608413 2026-03-25 4/200 2026-03-25 18:02 by 1294608413
[¿¼ÑÐ] Ò»Ö¾Ô¸±±»¯315 Çóµ÷¼Á +3 akrrain 2026-03-24 3/150 2026-03-24 19:35 by ÁËÁËÁËÁË¡£¡£
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½²ÄÁÏר317·ÖÇóµ÷¼Á +5 ըѽըѽըÊíÌõ 2026-03-23 5/250 2026-03-24 16:52 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 080500Çóµ÷¼Á +3 zzzzfan 2026-03-24 3/150 2026-03-24 16:38 by barlinike
[¿¼ÑÐ] 305·ÖÇóµ÷¼Á£¨Ê³Æ·¹¤³Ì£© +5 Sxy112 2026-03-21 7/350 2026-03-24 12:27 by 544594351
[¿¼ÑÐ] 269Çóµ÷¼Á +4 ÎÒÏë¶ÁÑÐ11 2026-03-23 4/200 2026-03-23 21:25 by pswait
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] 315·Ö£¬³ÏÇóµ÷¼Á£¬²ÄÁÏÓ뻯¹¤085600 +3 13756423260 2026-03-22 3/150 2026-03-22 20:11 by edmund7
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û