Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 3559  |  »Ø¸´: 10
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

saradzj

Òø³æ (СÓÐÃûÆø)


[½»Á÷] ¡¾ÇóÖú¡¿Mulliken charges ·ÖÎöÖÐÓöµ½µÄÒ»¸öÎÊÌâ

Çë½ÌÒ»¸öÎÊÌ⣺ÔÚNBO¼ÆËãÊä³öÎļþÀïÃæµÄAtomic charges with hydrogens summed into heavy atomsÓëMulliken atomic chargesµÄÇø±ðÊÇʲô£¬ÎÒÏÖÔÚÐèÒªµÃµ½ Mulliken charges of the heavy atoms £¬ÄÇÓ¦¸ÃÊÇÄÄÒ»¸öµ×ϵÄÊý¾Ý°¡£¬ÒòΪÏÖÔÚ¼±×ÅдÂÛÎÄ£¬ÐèÒªÕâ¸öÊý¾Ý£¬ÇëÖªµÀµÄ´óÏÀÖ¸½Ì£¬²»Ê¤¸Ðл£¡

[ Last edited by saradzj on 2011-2-27 at 19:10 ]
»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

saradzj

Òø³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by С°×ÈçË® at 2011-02-27 22:08:52:
Â¥ÉÏ˵µÄ¶Ô£¬ÓÅ»¯ºóÔÚresults-chargesÖУ¬¹´Ñ¡show charge numbers¾ÍÓÐÁË

лл£¬°´ÕÕÄãµÄ·½·¨ÎÒÊÔÁËÒ»ÏÂÊÇ¿ÉÒԵ쬲»¹ýÊýÖµ¶¼Ö»ÊÇÏÔʾÔÚÔ­×ÓÉÏ£¬ºÜСµÄ£¬¿´²»Ì«Çå³þ£¬²»ÖªµÀ»¹ÓÐûÓÐÆäËüµØ·½¿ÉÒÔ¿´µ½ÊýֵĨ£¬3Q
8Â¥2011-02-28 12:40:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

recoli

½ð³æ (ÕýʽдÊÖ)


saradzj(½ð±Ò+1): 2011-02-27 23:01:23
Mulliken chargesÔÚÆÕͨµÄopt»òÕßµ¥µã¼ÆËãµÄ½áβ¾ÍÓÐ
2Â¥2011-02-27 20:16:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

erylingjet

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


saradzj(½ð±Ò+2): 2011-02-27 23:01:10
ÒýÓûØÌû:
Originally posted by saradzj at 2011-02-27 19:07:37:
Çë½ÌÒ»¸öÎÊÌ⣺ÔÚNBO¼ÆËãÊä³öÎļþÀïÃæµÄAtomic charges with hydrogens summed into heavy atomsÓëMulliken atomic chargesµÄÇø±ðÊÇʲô£¬ÎÒÏÖÔÚÐèÒªµÃµ½ Mulliken charges of the heavy atoms £¬ÄÇÓ¦¸ÃÊÇÄÄÒ»¸öµ× ...

ÄãÕâ¸ö¾ÍÖ±½ÓÓÅ»¯¾ÍÓе쬲»ÓÃ×öNBO£¬ÄǽÐNBOµçºÉ£¬ÎûÎû
3Â¥2011-02-27 21:01:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

С°×ÈçË®

Ìú¸Ëľ³æ (СÓÐÃûÆø)


saradzj(½ð±Ò+2): 2011-02-27 23:01:06
ÒýÓûØÌû:
Originally posted by saradzj at 2011-02-27 19:07:37:
Çë½ÌÒ»¸öÎÊÌ⣺ÔÚNBO¼ÆËãÊä³öÎļþÀïÃæµÄAtomic charges with hydrogens summed into heavy atomsÓëMulliken atomic chargesµÄÇø±ðÊÇʲô£¬ÎÒÏÖÔÚÐèÒªµÃµ½ Mulliken charges of the heavy atoms £¬ÄÇÓ¦¸ÃÊÇÄÄÒ»¸öµ× ...

Â¥ÉÏ˵µÄ¶Ô£¬ÓÅ»¯ºóÔÚresults-chargesÖУ¬¹´Ñ¡show charge numbers¾ÍÓÐÁË
4Â¥2011-02-27 22:08:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 290µ÷¼ÁÉúÎï0860 +34 ÍÛ¹þ¹þ£¬¡£ 2026-04-11 40/2000 2026-04-14 20:45 by xiaoyidao129
[¿¼ÑÐ] ²ÄÁϹ¤³Ì281»¹Óе÷¼Á»ú»áÂð +41 xaw. 2026-04-11 42/2100 2026-04-14 20:05 by honglizhao
[¿¼ÑÐ] 291 Çóµ÷¼Á +36 »¯¹¤2026½ì±ÏÒµÉ 2026-04-09 37/1850 2026-04-14 17:56 by lhj2009
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶294·Ö£¬Çóµ¼Ê¦ÊÕÁô +32 yzyzx 2026-04-12 36/1800 2026-04-14 17:45 by lhj2009
[¿¼ÑÐ] 366Çóµ÷¼Á +11 ²»ÖªÃûµÄСئ 2026-04-11 11/550 2026-04-14 15:50 by zs92450
[¿¼ÑÐ] 279ѧ˶ʳƷרҵÇóµ÷¼ÁԺУ 20+6 ¹Â¶ÀµÄÀǰ®³ÔÑò 2026-04-12 28/1400 2026-04-14 15:44 by zs92450
[¿¼ÑÐ] µ÷¼Á +12 ÔÂ@163.com 2026-04-11 12/600 2026-04-14 15:37 by zs92450
[¿¼ÑÐ] 271Çóµ÷¼Á +35 2261744733 2026-04-11 41/2050 2026-04-14 15:36 by zs92450
[¿¼ÑÐ] »úе»¹Óл¹ÓÐÃû¶îÂð£¿Ì«ÄÑÁË +8 ЦЦԬ 2026-04-10 8/400 2026-04-14 08:44 by screening
[¿¼ÑÐ] 086000µ÷¼Á +6 Ê®Æßsa 2026-04-07 6/300 2026-04-12 11:05 by ´óÁ¦Ë®ÊÖÁ¦´óÎÞÇ
[¿¼ÑÐ] 280Çóµ÷¼Á +7 ÙâÙâÒ¹Ò¹ 2026-04-09 10/500 2026-04-12 00:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÖÐҩѧµ÷¼Á ³õÊÔ324 +4 Ñó¸Ê¾Õ¡¢ 2026-04-10 6/300 2026-04-11 09:41 by gong120082
[¿¼ÑÐ] ±¾¿Æ211 ¹¤¿Æ085400 280·ÖÇóµ÷¼Á ¿É¿çרҵ +11 LZH£¨µÈ´ýµ÷¼ÁÖÐ 2026-04-10 11/550 2026-04-11 08:39 by zhq0425
[¿¼ÑÐ] 22408 366·Ö£¬±¾¿Æ211£¬Ò»Ö¾Ô¸Î÷¹¤´ó +4 Rubt 2026-04-09 4/200 2026-04-10 19:51 by chemisry
[¿¼ÑÐ] 0858Çóµ÷¼Á 5+5 Gky09300550£¬ 2026-04-10 8/400 2026-04-10 19:13 by chemisry
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Ê¦·¶ÉúÎïѧ326·Ö£¬Çóµ÷¼Á +8 Áõīī 2026-04-09 8/400 2026-04-10 12:00 by pengliang8036
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤289·Ö +31 ˶ÐǸ° 2026-04-08 31/1550 2026-04-09 16:54 by Delta2012
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõרҵһ־Ը¹þ¹¤³Ì 291·ÖBÇø ¹ú¼Ò¼¶´ó´´¸ºÔðÈË ÓÐÒ»×÷ÂÛÎÄ +13 Emmy~ 2026-04-09 13/650 2026-04-09 14:47 by onlyÖÜ
[¿¼ÑÐ] ÉúÎïѧ328·ÖÇóµ÷¼Á +9 ÉÁµçkkl 2026-04-08 10/500 2026-04-08 21:42 by liuhuiying09
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û