²é¿´: 783  |  »Ø¸´: 3

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

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

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
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ LinaInverse µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÕÐ08¿¼Êýѧ +8 laoshidan 2026-03-20 17/850 2026-03-25 17:52 by Ò»¸öºìÌ«Ñô
[¿¼ÑÐ] ²ÄÁÏ277Çóµ÷¼Á +4 min3 2026-03-24 4/200 2026-03-25 15:29 by fch1983
[¿¼ÑÐ] 285Çóµ÷¼Á +3 AZMK 2026-03-24 3/150 2026-03-25 12:23 by userper
[¿¼ÑÐ] 081700 µ÷¼Á 267·Ö +10 ÃÔÈ˵Ĺþ¹þ 2026-03-23 10/500 2026-03-25 12:12 by userper
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏÓ뻯¹¤303·ÖÇóµ÷¼Á +4 Ϊѧ666 2026-03-24 4/200 2026-03-25 11:27 by BruceLiu320
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +9 A-¶ßÀ²ZÃÎ 2026-03-23 15/750 2026-03-25 11:18 by Ainin_
[¿¼ÑÐ] 306Çó0703µ÷¼ÁÒ»Ö¾Ô¸»ªÖÐʦ·¶ +10 Ö½Óãly 2026-03-21 11/550 2026-03-24 17:22 by qingfeng258
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[¿¼ÑÐ] 277·ÖÇóµ÷¼Á£¬¿çµ÷²ÄÁÏ +3 ¿¼Ñе÷¼Álxh 2026-03-24 3/150 2026-03-24 13:52 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼Á²ÄÁÏѧ˶080500£¬×Ü·Ö289·Ö 5+3 @taotao 2026-03-19 21/1050 2026-03-23 10:17 by ¹Úc¸ç
[¿¼ÑÐ] Ò»Ö¾Ô¸070300Õã´ó»¯Ñ§358·Ö£¬Çóµ÷¼Á£¡ +4 ËÖËÖÓã.. 2026-03-21 4/200 2026-03-23 08:12 by Iveryant
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤085600£¬×Ü·Ö304£¬±¾¿ÆÓÐÁ½Æªsci²ÎÓ룬Çóµ÷¼Á +4 ÐÒÔ˵Ľ´½´ 2026-03-22 5/250 2026-03-22 20:15 by edmund7
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +5 Surekei 2026-03-21 5/250 2026-03-22 14:39 by tcx007
[»ù½ðÉêÇë] ɽ¶«Ê¡ÃæÉÏÏîÄ¿ÏÞ¶îÆÀÉó +4 ʯÈð0426 2026-03-19 4/200 2026-03-22 08:50 by Wei_ren
[¿¼ÑÐ] ³õÊÔ 317 +7 °ëÀ­Ô±û 2026-03-20 7/350 2026-03-21 22:26 by peike
[¿¼ÑÐ] Çóµ÷¼Á +3 13341 2026-03-20 3/150 2026-03-21 18:28 by ѧԱ8dgXkO
[¿¼ÑÐ] ÇóÖú +5 ÃÎÀïµÄÎÞÑÔ 2026-03-21 6/300 2026-03-21 17:51 by ѧԱ8dgXkO
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-20 3/150 2026-03-21 16:46 by barlinike
[¿¼ÑÐ] 330Çóµ÷¼Á0854 +3 assdll 2026-03-21 3/150 2026-03-21 13:01 by ²«»÷518
[¿¼ÑÐ] 22408 344·Ö Çóµ÷¼Á Ò»Ö¾Ô¸ »ªµç¼ÆËã»ú¼¼Êõ +4 solanXXX 2026-03-20 4/200 2026-03-20 23:49 by alg094825
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û