²é¿´: 781  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

LinaInverse

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóÎÊÀ­ÆÕÀ­Ë¹µçºÉ·Ö²¼£¨laplacian of the electron density£©µÄ×÷ͼ·½·¨

rt£¬Í¼ÀýÈçÏ£¬ÎÒÓÃgauss09µÄcubegenÖ¸Áî×÷ͼ¾Í³ÉÁËÁíÒ»¸±²Ò×´ÁË£¬ÇóÎʸ÷λ´óÏÀ×÷ͼ·½·¨»òÕßÈí¼þ



»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Ð㶺ħµ¼Ê¦
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

LinaInverse

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by jctyp1212 at 2013-02-11 13:43:16
¿ÉÒÔÓÃÒ»ÏÂMultiwfn,Ó¦¸Ã¿ÉÒÔ»­³ö£¬ÎÒÒ²ÊǸÕѧ£¬¸Õ×ö¹ýÀ­ÆÕÀ­Ë¹µçºÉ·Ö²¼£¨laplacian of the electron density£©µÄͼ£¬Ò²ÔÚÃþË÷£¡

ÊÔһϣ¬µÈ¶Îʱ¼ä£¬ÄÜ»­µÃ»°·îÉϽð±Ò
Ð㶺ħµ¼Ê¦
4Â¥2013-02-14 13:16:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

jctyp1212

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¿ÉÒÔÓÃÒ»ÏÂMultiwfn,Ó¦¸Ã¿ÉÒÔ»­³ö£¬ÎÒÒ²ÊǸÕѧ£¬¸Õ×ö¹ýÀ­ÆÕÀ­Ë¹µçºÉ·Ö²¼£¨laplacian of the electron density£©µÄͼ£¬Ò²ÔÚÃþË÷£¡
2Â¥2013-02-11 13:43:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yanrding

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

Multiwfn £¡ºÃÓã¬Ãâ·Ñ£¬¹ú²ú£¡
»ª±±µçÁ¦´óѧ£¨±±¾©£©ÊýÀíѧԺ£¬¼ÆË㻯ѧ£¬Äý¾Û̬ÎïÀí¡£»¶Ó­ºÏ×÷£¡ÕÐ˶ʿ/²©Ê¿Ñо¿Éú£¬ÕÐÀÏʦ¡£
3Â¥2013-02-13 16:47:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 290·Öµ÷¼ÁÇóÖú +3 ¼ªÏéÖ¹Ö¹³Â 2026-03-25 3/150 2026-03-25 19:58 by barlinike
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ¹¤´ó 081700 276Çóµ÷¼Á +3 µØÇòÈÆ×ÅÌ«Ñôת 2026-03-23 3/150 2026-03-25 19:10 by ÎíÉ¢ºóÏàÓölc
[¿¼ÑÐ] ¿¼ÑÐÒ»Ö¾Ô¸ËÕÖÝ´óѧ³õʼ315£¨Ó¢Ò»£©Çóµ÷¼Á +3 sbdksD 2026-03-24 4/200 2026-03-25 18:16 by xcjcqu
[¿¼ÑÐ] ÕÐ08¿¼Êýѧ +8 laoshidan 2026-03-20 17/850 2026-03-25 17:52 by Ò»¸öºìÌ«Ñô
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] 291Çóµ÷¼Á +3 HanBeiNingZC 2026-03-24 3/150 2026-03-24 16:34 by barlinike
[¿¼ÑÐ] 307Çóµ÷¼Á +3 ÓàÒâÇä 2026-03-21 6/300 2026-03-24 15:03 by ÓàÒâÇä
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ 070300 ѧ˶ 336·Ö Çóµ÷¼Á +7 vvÃÔ 2026-03-22 7/350 2026-03-23 23:44 by Txy@872106
[¿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] ²ÄÁÏ/ũҵרҵ£¬07/08¿ªÍ·¾ù¿É£¬¹ýÏß¾ÍÐÐ +3 ºÇßíŶ»í 2026-03-23 4/200 2026-03-23 22:30 by Íô£¡£¿£¡
[¿¼ÑÐ] 291 Çóµ÷¼Á +4 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 5/250 2026-03-23 16:46 by »¯¹¤2026½ì±ÏÒµÉ
[¿¼ÑÐ] 276Çóµ÷¼Á +3 YNRYG 2026-03-21 4/200 2026-03-23 08:31 by ×íÔÚ·çÀï
[¿¼ÑÐ] 293Çóµ÷¼Á +3 ÌÎÌÎWjt 2026-03-22 5/250 2026-03-22 22:21 by jiangpengfei
[¿¼ÑÐ] 315·Ö£¬³ÏÇóµ÷¼Á£¬²ÄÁÏÓ뻯¹¤085600 +3 13756423260 2026-03-22 3/150 2026-03-22 20:11 by edmund7
[¿¼ÑÐ] 313Çóµ÷¼Á +4 ËÁÈþ·¡Ò¼22 2026-03-19 4/200 2026-03-21 17:33 by ColorlessPI
[»ù½ðÉêÇë] ѧУÒѾ­Ìá½»µ½NSFC£¬»¹ÄÜÐÞ¸ÄÂ𣿠40+4 babangida 2026-03-19 9/450 2026-03-21 16:12 by babangida
[¿¼ÑÐ] 0805²ÄÁÏ320Çóµ÷¼Á +3 ÉÎïÓï 2026-03-20 3/150 2026-03-21 15:46 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 22 350 ±¾¿Æ985Çóµ÷¼Á£¬ÇóÀϵÇÊÕÁô +3 ÀîéóÄÐ003 2026-03-20 3/150 2026-03-21 13:28 by ²«»÷518
[¿¼ÑÐ] 329Çóµ÷¼Á +9 ÏëÉÏѧ߹߹ 2026-03-19 9/450 2026-03-20 22:01 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»Í¨´óѧ ѧ˶ 354Çóµ÷¼Á211»òÕß˫һÁ÷ +3 ÎÒÏëÒª¶ÁÑо¿Éú 2026-03-20 3/150 2026-03-20 20:13 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û