±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1073  |  »Ø¸´: 5

lorna639

ľ³æ (ÖøÃûдÊÖ)


[½»Á÷] Çë´ó¼Ò°ïæ¿´¿´ÈçºÎ»Ø´ðÆÀÉóÈ˵ÄÕâ¸öÎÊÌ⣬¶àл£¡

×î½ü£¬ÓÐһƪÎÄÕ±༭²¿Í¨ÖªÒªÐ޸쬵«ÊÇÕë¶ÔÉó¸åÈ˵ÄÒâ¼û£¬ÎÒÕæµÄ²»ÖªµÀÔõô»Ø´ð£¬Çë´ó¼Ò°ïæ¡£
¡°The Computational methodology section does not mention how the authors handle the differential correlation effects due to the closed shell reactant molecule and the open shell product molecules. I am assuming that the product energies are calculated using an unrestricted wave function, but this is never mentioned. If this is the case, then the authors never analyze any errors introduced by using a restricted wave function for reactants and an unrestricted for the products¡±£¬
ÔÚÕâÀÖ÷ÒªÇë´ó¼Ò°ïæµÄÊÇÎÒÓ¦¸ÃÔõô·ÖÎö¡°any errors introduced by using a restricted wave function for reactants and an unrestricted for the products¡±
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

lorna639

ľ³æ (ÖøÃûдÊÖ)


Çë´ó¼Ò°ïæ°¡£¡
2Â¥2011-01-11 16:59:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²»¶®£¬°ï¶¥£¡
3Â¥2011-01-11 17:13:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lorna639

ľ³æ (ÖøÃûдÊÖ)


Çë´ó¼Ò°ïæÕâ¸öÎÊÌâ°¡£¬Èç¹ûÕâ¸öÎÊÌâ»Ø´ð²»ÉÏÀ´£¬ÕâÆªÎÄÕÂÊDz»Êǻᱻ¾Ü°¡
5Â¥2011-01-11 21:36:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lorna639

ľ³æ (ÖøÃûдÊÖ)


Çë´ó¼Ò°ï棡
6Â¥2011-01-12 14:02:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
lorna6394Â¥
2011-01-11 20:18   »Ø¸´  
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lorna639 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +10 Ò»ÑùYWY 2026-04-05 10/500 2026-04-05 22:16 by dongzh2009
[¿¼ÑÐ] 086000µ÷¼Á +3 Ê®Æßsa 2026-03-30 3/150 2026-04-05 21:14 by ѧԱ8dgXkO
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÏÃÃÅ´óѧ£¬ÉúÎïÓëÒ½Ò©£¬×Ü·Ö272£¬±¾¿Æ211 +3 Electron1cc 2026-04-01 4/200 2026-04-05 20:24 by lys0704
[¿¼ÑÐ] 285Çóµ÷¼Á +11 ŶßϺôo 2026-04-04 11/550 2026-04-05 08:15 by 544594351
[¿¼ÑÐ] ר˶310Çóµ÷¼Á +5 ÀÌÀÌÎÒ¡­. 2026-04-04 6/300 2026-04-04 23:33 by barlinike
[¿¼ÑÐ] 301Çóµ÷¼Á +18 ÂæÍÕÄÐÈË 2026-04-02 18/900 2026-04-04 20:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 321Çóµ÷¼Á +13 ÈÏÕæÇóÉÏѧ 2026-04-02 13/650 2026-04-04 18:23 by macy2011
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +14 ´ó²öС×Ó 2026-04-04 15/750 2026-04-04 16:27 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¶û±õ¹¤Òµ´óѧ085600Ó¢Ò»Êý¶þ337·ÖÇóµ÷¼Á +11 lyz0427 2026-04-03 11/550 2026-04-04 15:31 by dongzh2009
[¿¼ÑÐ] 265Çóµ÷¼Á +20 ÁºÁºÐ£Ð£ 2026-04-01 21/1050 2026-04-04 00:38 by userper
[¿¼ÑÐ] 283·Ö²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +29 ÂÞKAKA 2026-04-02 29/1450 2026-04-03 23:56 by userper
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤µ÷¼ÁÒ»Ö¾Ô¸´óÁ¬º£ÊÂ085600£¬349 +11 ³ÔµÄ²»ÉÙ 2026-03-30 11/550 2026-04-03 18:05 by Jimmyandyou
[¿¼ÑÐ] 334Çóµ÷¼Á +9 Trying] 2026-03-31 9/450 2026-04-03 15:18 by ×ÁçíØ¼
[¿¼ÑÐ] Çóµ÷¼Á»ú»á +5 ÒâȾivy 2026-04-03 5/250 2026-04-03 15:13 by qoooooo614
[¿¼ÑÐ] 316Çóµ÷¼Á +14 ÖÛ×Ô¹£ 2026-04-01 18/900 2026-04-03 10:28 by linyelide
[¿¼ÑÐ] »¯Ñ§070300-×Ü·Ö378-Çóµ÷¼Á +5 ŲÒÎ×ÓµÄÅÝÅÝÌÇ 2026-04-02 5/250 2026-04-02 22:20 by ZXlzxl0425
[¿¼ÑÐ] ½»Í¨ÔËÊ俼ÊÔ264·ÖÇ󹤿Ƶ÷¼Á +4 jike777 2026-04-02 4/200 2026-04-02 21:53 by zllcz
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] ʡ˫һÁ÷ÖØµãÒ»±¾´óѧÕÐÊÕµ÷¼Á +4 wwwwffffff 2026-03-31 7/350 2026-04-01 15:23 by wwwwffffff
[¿¼ÑÐ] Çóµ÷¼Á£ºÒ»Ö¾Ô¸£ºÄϾ©´óѧ רҵ£º0705 ×Ü·Ö320 £¬±¾¿Æ985£¬ËÄÁù¼¶Òѹý +3 lfy760306 2026-03-31 3/150 2026-04-01 01:57 by Creta
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û