| ²é¿´: 2242 | »Ø¸´: 10 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
ppshanshanqiuͳæ (СÓÐÃûÆø)
|
[½»Á÷]
¡¾ÇóÖú¡¿¼±£¡ÈܼÁ»¯Àϳö´í£¬ÓйØSCRF=read ÒÑÓÐ7È˲ÎÓë
|
||
|
ÔÚËãÒ»¸ö·Ö×ÓµÄÈܼÁ»¯ÓÅ»¯µÄʱºò£¬ÒòΪ³öÏÖÁËÏÂÃæµÄ´íÎóÌáʾ£º United Atom Topological Model (UA0 parameters set). UA0: Hydrogen 34 has 2 bounds. Keep it explicit at all point on the UA0: potential energy surface to get meaningful results. ÓÚÊǸÄÓÃÏÂÃæÊäÈëÎļþ£º # opt freq=noraman b3lyp/3-21g scrf=(solvent=water,read) scf=tight ¡£¡£¡£¡£¡£¡£ sphereonh=34 ½á¹û³öÏÖ´íÎó£º Using the following non-standard input for PCM: sphereonh=34 End of line while reading PCM input. ÓÚÊǸijÉÁË£º # opt freq=noraman b3lyp/3-21g scrf=(solvent=water,read) scf=tight ¡£¡£¡£¡£¡£ Radii=UFF ½á¹û»¹ÊÇÏàËÆµÄ´íÎóÌáʾ ÇëÎʵ½µ×Ó¦¸ÃÔõô¸Ä°¡£¬¿ì±ÀÀ£ÁË£¬ÇóÈËÖ¸µã£¬ÄѵÀÊÇÎÒÑ¡¶¨µÄPCMÄ£ÐÍÓйØÏµ£¬µ«ÊÇÒÔǰËãÀàËÆ½á¹¹µÄʱºò¾ÍÓÃsphereonh¾ÍÄܽâ¾öµÄ°¡£¬ |
» ²ÂÄãϲ»¶
»¶Ó»¯Ñ§¡¢»¯¹¤¡¢ÎïÀí¡¢²ÄÁÏ¡¢»ò¼ÆËã»ú±³¾°µÄ¿¼ÑÐ×Éѯ
ÒѾÓÐ0È˻ظ´
ºÚÁú½Ê¡Ô×ÓÄÜÑо¿Ôº»¯Ñ§¿ÎÌâ×éÕÐÊÕ2026¼¶»¯Ñ§×¨Òµ»ò»¯Ñ§Ïà¹Ø×¨ÒµË¶Ê¿Éú
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ69È˻ظ´
26²©Ê¿ÉêÇë
ÒѾÓÐ0È˻ظ´
ºÓÄÏÀí¹¤´óѧ»¯¹¤Ñ§ÔºÕÐÊÕµ÷¼ÁÉúÀ²£¡
ÒѾÓÐ1È˻ظ´
ºþÄÏ´óѧÁõÇÉÁá¿ÎÌâ×é2026Ä격ʿÑо¿ÉúÕÐÉúÐÅÏ¢
ÒѾÓÐ28È˻ظ´
ÄÏ·½¿Æ¼¼´óѧ±íÃæ´ß»¯·´Ó¦¶¯Á¦Ñ§Ñо¿¿ÎÌâ×éÕÐÊÕ2026½ì²©Ê¿Éú
ÒѾÓÐ1È˻ظ´
ÕÐÊÕ²©Ê¿Ò»Ãû-Äþ²¨´óѧ
ÒѾÓÐ0È˻ظ´
±±¾©Óʵç´óѧÎïÀíѧԺÀÏʦÕÐÊÕ²©Ê¿Éú
ÒѾÓÐ3È˻ظ´
Comsol 6.0 ͰÄÚ·ÊÁϲúÈȲúʪ¹ý³ÌÄ£ÄâÇóÖú
ÒѾÓÐ1È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÎÞË®Rhcl3ÈçºÎÈܽ⣿
ÒѾÓÐ10È˻ظ´
eppendorf mutipratorµÄµç»÷±ÔÚÆäËûÆ·ÅÆµÄµçת»¯ÒÇÉÏÊÊÓÃÂð£¿
ÒѾÓÐ4È˻ظ´
¸ßÎÂË®ÈÈ·´Ó¦ÓÃÎÞË®ÒÒ´¼×öÈܼÁÊÇ·ñÓÐΣÏÕ
ÒѾÓÐ6È˻ظ´
³½»ª-ºãµçÁ÷¼ÆÊ±µçλ·¨²â´ß»¯¼ÁÄ;ÃÐÔÈçºÎÉè²ÎÊý£¿
ÒѾÓÐ7È˻ظ´
¼±Çó°ïÖú£¡hplcÈܼÁ·åÎÊÌâ
ÒѾÓÐ19È˻ظ´
µç³Ø¿ª·¢Ñо¿ÓÐ½è¼øÒâÒ壺ï®Àë×Óµç³ØÌåϵ΢½á¹¹Éè¼Æ
ÒѾÓÐ481È˻ظ´
½Ó´¥Çâ·úËá¡¢ÓлúÈܼÁ£¬¸ÃʹÓÃʲôÑùµÄÃæÕÖÅÆ×ÓÐͺÅ
ÒѾÓÐ14È˻ظ´
ÇóÖúÓйØÁòËá¸ÆµÄÎÊÌâ
ÒѾÓÐ11È˻ظ´
Çë½ÌÏÂË®ÑîËáµÄºó´¦Àí£¡£¡£¡¼±¼±¼±£¡£¡£¡
ÒѾÓÐ15È˻ظ´
½ô¼±ÇóÖú£ºHÆ×»¯Ñ§Î»ÒÆÒ»Ñù¡¢·åÃæ»ý²»Í¬£¬ÊÇ·ñ˵Ã÷ÊDz»Í¬»ìºÏÎ
ÒѾÓÐ3È˻ظ´
Óйض¨Á¿PCR£¬¼±¼±¼±
ÒѾÓÐ9È˻ظ´
RSCµÄÄ£°å±à¼ºÃwordÔÙ´ò¿ªÐí¶à¸ñʽ±ä»¯£¬¼±¼±£¡£¡
ÒѾÓÐ5È˻ظ´
ÇëÎÊ£ºÅäλ¼üºÍ¹²¼Û¼üµÄÇ¿¶ÈÎÊÌ⡣ллÁË¡£
ÒѾÓÐ5È˻ظ´
ÓйØËáôûºÍ»·ÑõôÇ»ù·´Ó¦µÄ´ß»¯¼Á¡¤¡¤Íû²»Áߴͽ̡¤¡¤¡¤¡¤
ÒѾÓÐ19È˻ظ´
PEG¾ÛÒÒ¶þ´¼ÊÒÎÂÏÂÈÜÓÚʲôÓлúÈܼÁ
ÒѾÓÐ9È˻ظ´
angela1888
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 548.1
- Ìû×Ó: 32
- ÔÚÏß: 98.2Сʱ
- ³æºÅ: 770826
- ×¢²á: 2009-05-15
ss
¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zhou2009(½ð±Ò+1): 2010-09-17 14:12:56
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
zhou2009(½ð±Ò+1): 2010-09-17 14:12:56
| ¿ÉÒÔÊÔÊÔradii=bondi |
9Â¥2010-09-16 14:59:02
libostar
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 786.6
- Ìû×Ó: 642
- ÔÚÏß: 24.2Сʱ
- ³æºÅ: 695550
- ×¢²á: 2009-02-03
- ÐÔ±ð: GG
- רҵ: ×÷ÎïÔÓÖÖÓÅÊÆ¼°ÆäÀûÓÃ
2Â¥2010-03-25 22:40:53
recoli
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 2547.2
- ºì»¨: 2
- Ìû×Ó: 553
- ÔÚÏß: 92.9Сʱ
- ³æºÅ: 253003
- ×¢²á: 2006-05-20
¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
aylayl08(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-04-20 18:28
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
aylayl08(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-04-20 18:28
|
Hydrogen 34 has 2 bounds Check your molecular structure for bad contacts. |
3Â¥2010-03-25 23:47:23
ppshanshanqiu
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 77.5
- Ìû×Ó: 205
- ÔÚÏß: 11.1Сʱ
- ³æºÅ: 438452
- ×¢²á: 2007-09-23
- רҵ: ÎÛȾ¿ØÖÆ»¯Ñ§
4Â¥2010-03-26 09:31:53









»Ø¸´´ËÂ¥
20