²é¿´: 2611  |  »Ø¸´: 21
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

jiangning198511

ľ³æ (ÕýʽдÊÖ)

[ÇóÖú] ·Ö×Ó¹ìµÀÏÔʾʱISOVALUESµÄµ¥Î» ÒÑÓÐ1È˲ÎÓë

Õâ¸öÉèÖþ­³£Ó㬵«µ¥Î»Ò»Ö±²»ÖªµÀ£¬ÍøÉÏÒ²ºÜÉÙ½âÊÍ£¬Çë¸ßÊÖ½â´ð¡£
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jiangning198511

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
9Â¥: Originally posted by sobereva at 2014-07-24 09:43:41
¶ÔÓÚµç×ÓÃܶȣ¬a.u.¾ÍÊÇe/bohr^3¡£¾ø´ó¶àÊý³ÌÐò£¬°üÀ¨cubegen¡¢MultiwfnµÈ³ÌÐòÊä³öµÄµç×ÓÃܶȸñµãÊý¾Ý¶¼ÊÇÒÔe/bohr^3Ϊµ¥Î»µÄ¡£µ«Ò²ÓÐÉÙÊý³ÌÐòÒÔe/Angstrom^3ΪÃܶȵ¥Î»£¬´Ëʱ¾ÍÐèÒª0.5292^-3À´×ª»»ÁË...

ÎÒÀûÓÃMultiwfn ¼ÆËãAdNDP,È»ºó²úÉúCUBEÎļþ£¬ÔÙÀûÓøß˹VIEW²úÉúͼÏñ£¬ÔÚ¸ß˹ÖоÍÓÐISOVALUESÖµµÄÉèÖ㬰´ÕÕSobµÄ½â´ð£¬ÕâÀïISOVALUESÓ¦¸ÃÊǵç×ÓÃܶȵĵ¥Î»¡£
Õâ¸öµ¥Î»ÊÇe/bohr^3 »¹ÊÇe/angstom^3,¸ß˹ÊÖ²áûÓÐ˵Ã÷£¬ÎÒÖ»ÔÚÉÏÃæµÄÄǸö½²ÒåÖÐÕÒµ½ÁËe/angstom^3¡£
»¹ÓУ¬·Ö×Ó¹ìµÀÓÐÕý¸ºÏàλ֮·Ö£¬Äǵ¥Î»ÊÇ·ñÓ¦¸ÃÊÇ£¨e/angstom^3£©^0.5??
10Â¥2014-07-24 10:36:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 22 ¸ö»Ø´ð

sobereva

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

±¾ÈËÒÑÓÀ¾ÃÀ뿪Сľ³æ


¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
zhou2009: ½ð±Ò+3 2014-07-24 06:36:30
·Ö×Ó¹ìµÀÊýÖµ±¾Éí¾ÍÊÇûÓе¥Î»µÄ£¬Òò´ËisovalueҲûÓе¥Î»

¼ÙÉèÓÐʲôµØ·½·ÇµÃÒªÇóÄãдµ¥Î»£¬¾Íдa.u.
2Â¥2014-07-24 03:34:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jiangning198511

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by sobereva at 2014-07-24 03:34:31
·Ö×Ó¹ìµÀÊýÖµ±¾Éí¾ÍÊÇûÓе¥Î»µÄ£¬Òò´ËisovalueҲûÓе¥Î»

¼ÙÉèÓÐʲôµØ·½·ÇµÃÒªÇóÄãдµ¥Î»£¬¾Íдa.u.

ÎÒ¿´µ½ÓеĿμþдµÄÊÇ electron/A^3, Õâ¸öÊÇ·ñÕýÈ·¡£
3Â¥2014-07-24 08:11:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jiangning198511

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by jiangning198511 at 2014-07-24 08:11:50
ÎÒ¿´µ½ÓеĿμþдµÄÊÇ electron/A^3, Õâ¸öÊÇ·ñÕýÈ·¡£...

Õâ¸ö¿Î¼þÖÐдµÄ
https://www.uaf.edu/files/chem/ARSCSeminar.pdf
4Â¥2014-07-24 08:14:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085700×ÊÔ´Óë»·¾³308Çóµ÷¼Á +7 īīĮ 2026-03-18 7/350 2026-03-20 05:55 by laoshidan
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤ Çóµ÷¼Á +14 enenenhui 2026-03-13 15/750 2026-03-19 21:53 by allen-yin
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 18889395102 2026-03-18 4/200 2026-03-19 16:13 by 30660438
[¿¼ÑÐ] 286Çóµ÷¼Á +6 lemonzzn 2026-03-16 10/500 2026-03-19 14:31 by lemonzzn
[¿¼ÑÐ] 324·Ö 085600²ÄÁÏ»¯¹¤Çóµ÷¼Á +3 llllkkkhh 2026-03-18 3/150 2026-03-19 14:22 by houyaoxu
[¿¼ÑÐ] 317Çóµ÷¼Á +3 Éê×ÓÉêÉê 2026-03-19 6/300 2026-03-19 14:16 by Éê×ÓÉêÉê
[¿¼ÑÐ] ±¾¿ÆÖ£ÖÝ´óѧÎïÀíѧԺ£¬Ò»Ö¾Ô¸»ª¿Æ070200ѧ˶£¬346Çóµ÷¼Á +4 ÎÒ²»ÊÇÒ»¸ù´Ð 2026-03-18 4/200 2026-03-19 09:11 by ¸¡ÔÆ166
[¿¼ÑÐ] 304Çóµ÷¼Á +6 ˾¿Õ. 2026-03-18 6/300 2026-03-18 23:03 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 085410È˹¤ÖÇÄÜר˶317Çóµ÷¼Á£¨0854¶¼¿ÉÒÔ£© +3 xbxudjdn 2026-03-18 3/150 2026-03-18 22:14 by zhq0425
[¿¼ÑÐ] 085601ר˶£¬×Ü·Ö342Çóµ÷¼Á£¬µØÇø²»ÏÞ +5 share_joy 2026-03-16 5/250 2026-03-18 14:48 by haxia
[¿¼ÑÐ] 311Çóµ÷¼Á +11 ¶¬Ê®Èý 2026-03-15 12/600 2026-03-18 14:36 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 298-Ò»Ö¾Ô¸Öйúũҵ´óѧ-Çóµ÷¼Á +7 ÊÖ»úÓû§ 2026-03-17 7/350 2026-03-18 14:34 by vgtyfty
[¿¼²©] »·¾³ÁìÓòÈ«¹úÖØµãʵÑéÊÒÕÐÊÕ²©Ê¿1-2Ãû +3 QGZDSYS 2026-03-13 5/250 2026-03-18 11:13 by QGZDSYS
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á ×Ü·Ö331 +3 ZY-05 2026-03-13 3/150 2026-03-18 10:58 by macy2011
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +6 zbzihdhd 2026-03-15 7/350 2026-03-18 09:53 by zhukairuo
[¿¼ÑÐ] 326Çóµ÷¼Á +5 Éϰ¶µÄСÆÏ 2026-03-15 6/300 2026-03-17 17:26 by ruiyingmiao
[¿¼ÑÐ] ÓÐûÓеÀÌú/ÍÁľµÄÏëµ÷¼ÁÄÏÁÖ£¬¸ø×Ô¼ºÕÐʦµÜÖС« +3 TqlXswl 2026-03-16 7/350 2026-03-17 15:23 by TqlXswl
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 277²ÄÁÏ¿ÆÑ§Ó빤³Ì080500Çóµ÷¼Á +3 ×ÔÓɼå±ý¹û×Ó 2026-03-16 3/150 2026-03-16 14:10 by ÔËÆøyunqi
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 ºôºô£¿~+123456 2026-03-14 3/150 2026-03-14 16:53 by WTUChen
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û