Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2288  |  »Ø¸´: 4

[½»Á÷] ¡¾ÇóÖú¡¿Çó½ÌdmolÖо²µçÊÆµ¥Î»¼°Êý¾Ý´¦Àí

¼ÆËã½ðÊô±íÃæµÄ¹¦º¯Êý£¬µÃµ½ÁË *_potential.grd Îļþ
1.  ÎļþÀïµÚÒ»ÐеÄÐÅÏ¢ÊÇ£º
      DMol3 electrostatic potential Ha*electron(-1)
      Õâ¸öµ¥Î»ÊÇʲôÒâ˼°¡£¿°´ÕÕÒ»°ãÀí½âµÄ»°£¬¾²µçÊÆµÄµ¥Î»Ó¦¸ÃÊÇeV»òÕßHaµÈÄÜÁ¿µ¥Î»²Å¶Ô°¡£¬ÕâÀïÔõôÊÇHa/electron  ?

2.  Õâ¸öÎļþÔõô´¦ÀíµÃµ½¹¦º¯Êý°¡£¿

¶àл¶àл£¡
»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
¡ï
zzy870720z(½ð±Ò+1):¹ÄÀø½»Á÷ 2010-11-26 15:27:34
ͨ¹ý¶Ô±ÈwindowsϵÄdmol×Ô¶¯¸ø³öµÄ¹¦º¯ÊýµÄͼºÍlinuxÏÂdmolµÄ¼ÆËãÎļþ*_potential.grd£¬ÎÒ·¢ÏÖ¿ÉÄÜÊÇ£º
1.  µ¥Î»¾ÍÊÇHa£¬¶ø²»ÊÇHa/electron.ÕâÑù¼ÆËã³öµÄ¹¦º¯ÊýÊýÖµÉÏÊÇÕýÈ·µÄ¡£
2.  ½«Õâ¸öÎļþת»¯³Éxsf¸ñʽ¾Í¿ÉÒÔ¿´ÈýάͼÁË
ÒÔÉÏÊÇÎÒµÄÀí½â£¬»¶Ó­ÌÖÂÛ£¡
2Â¥2010-11-26 10:17:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jianying8996

ľ³æ (ÖøÃûдÊÖ)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Â¥Ö÷£¬Õâ¸öÎÊÌâÄãÃ÷°×ÁËûÓа¡£¿×ª»¯³Éxsf¸ñʽ£¿Ôõôת»¯°¡
3Â¥2012-11-18 21:21:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

farfaraway08

Í­³æ (ÖøÃûдÊÖ)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
2Â¥: Originally posted by uuv2010 at 2010-11-26 10:17:40
ͨ¹ý¶Ô±ÈwindowsϵÄdmol×Ô¶¯¸ø³öµÄ¹¦º¯ÊýµÄͼºÍlinuxÏÂdmolµÄ¼ÆËãÎļþ*_potential.grd£¬ÎÒ·¢ÏÖ¿ÉÄÜÊÇ£º
1.  µ¥Î»¾ÍÊÇHa£¬¶ø²»ÊÇHa/electron.ÕâÑù¼ÆËã³öµÄ¹¦º¯ÊýÊýÖµÉÏÊÇÕýÈ·µÄ¡£
2.  ½«Õâ¸öÎļþת»¯³Éxsf¸ñʽ¾Í¿É ...

°æÖ÷ÄãºÃ£¬ÎÒÏëÎÊÏÂÕâ¸öÊý¾ÝÈçºÎ´¦ÀíµÃµ½¶þÎ¬Í¼ÄØ£¿ÎÒ°ÑͼÉÏÃæµÄÊý¾ÝȫѡÓÃorigin×÷ͼµÄʱºò³öÏÖµÄÊÇһЩµã£¬¶ø²»ÊÇÏñԭͼÄÇÑùµÄÇúÏß¡£Ð»Ð»
4Â¥2015-03-18 19:27:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
1¡¢ÕâÊǰ´ÕÕÿ¸öµç×ÓÀ´Ëã¿©£¬ÎÞËùν£¬Äã¾Íµ±×÷HaºÃÁË£¬1Ha=27.211eV.
2¡¢Äã¿ÉÒÔͨ¹ýд½Å±¾À´×öz·½ÏòµÄƽ¾ù¾²µçÊÆhttp://muchong.com/bbs/viewthread.php?tid=7733083&authorid=1369423¡£µ«Õâ²¢²»ÊÇ×î¼ò±ãµÄ·½Ê½£¬ÔÚÐÔÖʼÆËãÖÐÓо²µçÊÆ¼ÆËãµÄÑ¡ÏÆäÖоÍÓÐwork functiionµÄÏµ«ÊÇÒ²ÊÇÓÐÒªÇóµÄ£¬±ØÐëÊDZíÃæÌåϵ£¬Õæ¿Õ²ãºÃÏñÖÁÉÙÊÇ10A¡£¼ÆËãÍê³ÉÖ±½ÓÔÚAnalysis×ö·ÖÎö¼´¿É¡£
5Â¥2015-03-18 21:28:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ uuv2010 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 338Çóµ÷¼Á +6 wxygxsaaaaa 2026-04-06 6/300 2026-04-08 01:14 by BruceLiu320
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +4 СÁõͬѧ߹߹ 2026-04-06 5/250 2026-04-08 00:33 by JourneyLucky
[¿¼ÑÐ] 293·ÖÇóµ÷¼Á£¬ÍâÓïΪ¶íÓï +5 ¼ÓÒ»Ò»¾Å 2026-04-07 7/350 2026-04-07 23:04 by JourneyLucky
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +13 ºº123456 2026-04-07 14/700 2026-04-07 22:53 by À´¿´Á÷ÐÇÓê10
[¿¼ÑÐ] 274Çóµ÷¼ÁÇóµ÷¼Á +6 Jachenbingoo 2026-04-06 9/450 2026-04-07 18:43 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸Î÷ÄϽ»Í¨´óѧ085701»·¾³¹¤³Ì 282·Ö +13 ¶à¶à°®³Ôºº±¤ 2026-04-04 14/700 2026-04-07 11:22 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] 304Çóµ÷¼Á +14 c297914 2026-04-05 15/750 2026-04-07 11:15 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] 22408 331·ÖÇóµ÷¼Á +4 y__1 2026-04-06 4/200 2026-04-06 17:26 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] Çóµ÷¼Á +5 wos666 2026-04-03 5/250 2026-04-06 10:13 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¿¼Ñе÷¼ÁÉúѰÕÒµ¼Ê¦ +3 ¹ËÕ°¿¼Ñа¡ 2026-04-05 3/150 2026-04-05 18:18 by à£à£à£0119
[¿¼ÑÐ] һ־Ըͬ¼Ã´óѧ323·Ö£¨080500£©Çóµ÷¼Á +8 yikeniu 2026-04-01 8/400 2026-04-05 18:15 by cql1109
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] 283Çóµ÷¼Á +4 mcbbc 2026-04-03 5/250 2026-04-04 20:51 by imissbao
[¿¼ÑÐ] 321Çóµ÷¼Á +13 ÈÏÕæÇóÉÏѧ 2026-04-02 13/650 2026-04-04 18:23 by macy2011
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +6 ·¶¸ùÅà 2026-04-04 6/300 2026-04-04 14:27 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 280Çóµ÷¼Á +21 ¹¾ààÏþÏþ 2026-04-02 22/1100 2026-04-04 11:12 by Öí»á·É
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿¼ÑÐ] 289-Çóµ÷¼Á +4 ÕâÀïÊÇ_ 2026-04-03 4/200 2026-04-03 14:23 by 1753564080
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸346ÉϺ£´óѧÉúÎïѧ +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-01 3/150 2026-04-02 08:36 by w³æ³æ123
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û