²é¿´: 2067  |  »Ø¸´: 6

dlstella

Òø³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóÎÊ£ºÓøß˹ÔõôËãelectron density

ÇóÎÊ£ºÓøß˹ÔõôËãelectron density£¬¾ÍÊÇÄÇÖÖ·Ö×ÓÉÏ¿ÉÒÔÏÔʾ²»Í¬ÑÕÉ«±íʾµÄÄÇÖÖ¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
gmy1990(½ð±Ò+3): ·Ç³£¸ÐлÄã¶ÔÂÛ̳µÄ¹±Ï×£¬½±ÀøÒ»Ï£¡ 2011-07-11 10:11:15
dlstella(½ð±Ò+10): 2011-07-11 16:46:58
Óøß˹Ëãelectron density£¬¿ÉÒÔÓжàÖÖ;¾¶£º

ÓÃcubegenÃüÁ»òÕßcube¹Ø¼ü´Ê£¬Ö¸¶¨Çódensity£¬µÃµ½electron densityµÄcubeÎļþ£¬È»ºóÏÔʾÆäͼÐÎÀ´¡£Ïê¼û±¾ÂÛ̳Ìû×Ó»ò²Ù×÷Êֲᡣ

´ËÍ⣬Ҳ¿ÉÒÔ½«¼ÆËãµÃµ½µÄchkÎļþ¸Äд³ÉfchÎļþ£¬½«Îļþ¶ÁÈëmultiwfn³ÌÐòÖУ¬Ö¸¶¨Çódensity£¬µÃµ½electron densityµÄcubeÎļþ¡£

Äã˵¡°¾ÍÊÇÄÇÖÖ·Ö×ÓÉÏ¿ÉÒÔÏÔʾ²»Í¬ÑÕÉ«±íʾµÄÄÇÖÖ¡±£¬Èç¹ûÖ»ÊÇelectron densityµÄµÈÖµÃæÍ¼£¬ÒòÖ»ÓÐÕýÖµÖ»Óе¥Ò»µÄÑÕÉ«¡£Èç¹ûÊǽØÃæµÄµÈÖµÏßͼ¿ÉÒÔÓò»Í¬ÑÕÉ«±íʾ¡£

µç×ÓÃܶȲî¿ÉÒÔÓÃÁ½ÖÖÑÕÉ«±íʾ¡£

Äã²»»áÊÇÖ¸¾²µçÊÆ°É£¿ËüÒ²ÊÇ¡°ÄÇÖÖ·Ö×ÓÉÏ¿ÉÒÔÏÔʾ²»Í¬ÑÕÉ«±íʾµÄ¡±¡£
2Â¥2011-07-11 09:43:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dlstella

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by zhou2009 at 2011-07-11 09:43:33:
Óøß˹Ëãelectron density£¬¿ÉÒÔÓжàÖÖ;¾¶£º

ÓÃcubegenÃüÁ»òÕßcube¹Ø¼ü´Ê£¬Ö¸¶¨Çódensity£¬µÃµ½electron densityµÄcubeÎļþ£¬È»ºóÏÔʾÆäͼÐÎÀ´¡£Ïê¼û±¾ÂÛ̳Ìû×Ó»ò²Ù×÷Êֲᡣ

´ËÍ⣬Ҳ¿ÉÒÔ½«¼ÆËãµÃµ½µÄc ...

ÎÒÏëÒªµÄÓ¦¸Ã¾ÍÊÇÄã˵µÄÄÇÖÖ¡°½ØÃæµÄµÈÖµÏßͼ¡±¡£Äã˵µÄÓÃcubegenÇóµÃµÄelectron densityµÄcubeÎļþ ×îºóÒ²ÊÇÓÃGV´ò¿ª¿´Âð£¿ÎÒ°ÑchkÎļþ´ò¿ªÓÃÀïÃæµÄcubeËãÁË £¬³öÀ´µÄ¾ÍÊÇÒ»´óÛçÒ»ÖÖÑÕÉ«µÄ£¬ÎÒ¾ÍÊÇÏëÒªÄÇÖÖÁ½ÖÖÑÕÉ«±íʾµÄ£¬Äܲ»ÄÜÇëÄãÏêϸµÄÔÙ½²Ò»Ï£¬»òÕ߸ø¸öÊäÈëÎļþµÄ·¶±¾£¬ºÃÂð£¿Ð»Ð»ÁË£¡×îºóµÄÎļþ´ò¿ªÒ²ÊÇÓÃGaussViewÂð£¿
3Â¥2011-07-11 16:46:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

Äã˵¡°Ò»´óÛçÒ»ÖÖÑÕÉ«¡±µÄ£¬Èç¹ûÄãËùÇóÎÞÎó£¬Õâ¾ÍÊÇÄãÒªµÄelectron densityµÄµÈÖµÃæÍ¼£¬ËüÖ»ÓÐÕýÖµ£¬¹ÌÖ»ÓÐÒ»ÖÖÑÕÉ«¡£¿ÉÒÔͨ¹ýµÈÖµÃæÖµµÄ´óС£¬¸Ä±ä´ËͼµÄ¿ÉÊÓÐÔ¡£

¡°½ØÃæµÄµÈÖµÏßͼ¡±£¬Ò²ÊÇÒ»ÖÖÑÕÉ«µÄ¡£Ò²ÊÇÔÚGaussView 5ÖÐÏÔʾµÄ¡£

¡°ÏëÒªÄÇÖÖÁ½ÖÖÑÕÉ«±íʾµÄ¡±£¬ÄǾÍÊǵç×ÓÃܶȲelectron density difference¡£ÊÇÂð£¿
4Â¥2011-07-11 19:15:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dlstella

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by zhou2009 at 2011-07-11 19:15:38:
Äã˵¡°Ò»´óÛçÒ»ÖÖÑÕÉ«¡±µÄ£¬Èç¹ûÄãËùÇóÎÞÎó£¬Õâ¾ÍÊÇÄãÒªµÄelectron densityµÄµÈÖµÃæÍ¼£¬ËüÖ»ÓÐÕýÖµ£¬¹ÌÖ»ÓÐÒ»ÖÖÑÕÉ«¡£¿ÉÒÔͨ¹ýµÈÖµÃæÖµµÄ´óС£¬¸Ä±ä´ËͼµÄ¿ÉÊÓÐÔ¡£

¡°½ØÃæµÄµÈÖµÏßͼ¡±£¬Ò²ÊÇÒ»ÖÖÑÕÉ«µÄ¡£Ò²ÊÇÔÚ ...

¶Ô¶Ô¶Ô£¬¾ÍÊÇelectron density difference £¬Õâ¸öÔõôËã°¡£¿
5Â¥2011-07-11 19:28:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï
Сºì¶¹(½ð±Ò+3): ¸Ðл·ÖÏí 2011-07-12 08:48:01
Ïê¼ûÎÒ±àдµÄ¡¶Á¿×Ó»¯Ñ§Í¼ÐÎÏÔʾÊֲᡷ£º

http://muchong.com/bbs/viewthread.php?tid=1616092
6Â¥2011-07-11 19:43:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dlstella

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by zhou2009 at 2011-07-11 19:43:54:
Ïê¼ûÎÒ±àдµÄ¡¶Á¿×Ó»¯Ñ§Í¼ÐÎÏÔʾÊֲᡷ£º

http://muchong.com/bbs/viewthread.php?tid=1616092

лл¹þ£¡£¡£¡
7Â¥2011-07-11 21:27:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ dlstella µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÓÐûÓеÀÌú/ÍÁľµÄÏëµ÷¼ÁÄÏÁÖ£¬¸ø×Ô¼ºÕÐʦµÜÖС« +3 TqlXswl 2026-03-16 7/350 2026-03-17 15:23 by TqlXswl
[¿¼ÑÐ] 293Çóµ÷¼Á +6 zjlµÄºÅ 2026-03-16 11/550 2026-03-17 14:27 by houyaoxu
[¿¼ÑÐ] 268Çóµ÷¼Á +7 Ò»¶¨ÓÐѧÉÏ- 2026-03-14 8/400 2026-03-17 13:10 by zz820
[¿¼ÑÐ] 332Çóµ÷¼Á +5 Zz°æ 2026-03-13 5/250 2026-03-17 11:01 by JineShine
[¿¼ÑÐ] 271Çóµ÷¼Á +12 ÉúÈçÏÄ»¨¡­ 2026-03-11 14/700 2026-03-17 10:56 by lovewei0727
[¿¼ÑÐ] ²ÄÁÏר˶326Çóµ÷¼Á +5 Ä«ìÏæ¦Ý· 2026-03-15 5/250 2026-03-16 21:30 by ľ¹Ï¸à
[¿¼ÑÐ] 304Çóµ÷¼Á +4 ahbd 2026-03-14 4/200 2026-03-16 16:48 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] Ò»Ö¾Ô¸211 0703·½Ïò310·ÖÇóµ÷¼Á +3 ŬÁ¦·Ü¶·112 2026-03-15 3/150 2026-03-16 16:44 by houyaoxu
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 344Çóµ÷¼Á +3 knight344 2026-03-16 3/150 2026-03-16 09:42 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 0856ר˶279Çóµ÷¼Á +5 ¼ÓÓͼÓÓÍ£¡? 2026-03-15 5/250 2026-03-15 11:58 by 2020015
[¿¼ÑÐ] 308 085701 ËÄÁù¼¶ÒѹýÇóµ÷¼Á +7 ÎÂÇÇÇÇÇÇÇÇ 2026-03-12 14/700 2026-03-14 10:49 by JourneyLucky
[¿¼ÑÐ] 285 Çóµ÷¼Á ×ÊÔ´Óë»·¾³ Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ +3 δÃû¿¼Éú 2026-03-10 3/150 2026-03-13 23:04 by JourneyLucky
[¿¼ÑÐ] 308Çóµ÷¼Á +5 ÊÇLupa°¡ 2026-03-11 5/250 2026-03-13 22:13 by JourneyLucky
[¿¼ÑÐ] 311Çóµ÷¼Á +3 ¶¬Ê®Èý 2026-03-13 3/150 2026-03-13 20:41 by JourneyLucky
[˶²©¼ÒÔ°] 085600 260·ÖÇóµ÷¼Á +3 Ìì¿Õ»¹ÏÂÓêô 2026-03-13 5/250 2026-03-13 18:46 by Ìì¿Õ»¹ÏÂÓêô
[¿¼ÑÐ] Çóµ÷¼Á +5 Ò»¶¨ÓÐѧÉÏ- 2026-03-12 5/250 2026-03-13 18:31 by ms629
[¿¼ÑÐ] 274Çóµ÷¼Á +3 S.H1 2026-03-12 3/150 2026-03-13 15:15 by JourneyLucky
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶306Çóµ÷¼Á +9 42838695 2026-03-12 9/450 2026-03-13 10:16 by houyaoxu
[¿¼ÑÐ] 290Çóµ÷¼Á +3 ¿Â»´È» 2026-03-10 8/400 2026-03-11 13:48 by ¿Â»´È»
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û