24СʱÈÈÃŰæ¿éÅÅÐаñ    

Znn3bq.jpeg
²é¿´: 3096  |  »Ø¸´: 5

ÌÀtao

Í­³æ (³õÈëÎÄ̳)

[ÇóÖú] RDF¼ÆËãÇóÖú

ÎÒÏëÓÃMaterials StudioµÄForcite¼ÆËãÔ­×ÓXºÍ·Ö×ÓYÖ®¼äµÄRDF£¬ÎÒµÄ×ö·¨ÊÇ´ò¿ªÄ£Äâ×îºóµÄ¹ì¼£Îļþ.xtd£¨»¹ÊǽṹÎļþ.xsd ?£©,Ñ¡ÔñËùÓеÄÔ­×ÓX£¨n>1£©ºÍ·Ö×ÓY(n>1), È»ºó½øÈëForcite<Analysis, Ñ¡ÔñRDF£¬ È»ºóµãanalysis½øÐмÆË㣬²»ÖªµÀÕâ¸ö·½·¨¶Ô²»¶Ô£¿ÐÂÊÖѧϰ£¬Ï£Íû´ó¼ÒÄܸøÎÒЩ°ïÖú£¬Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

pigrass

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒÁ¿¨Ë¹ÌصÄСÖí

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÌÀtao: ½ð±Ò+20 2013-08-07 15:58:12
²Ù×÷·½·¨ÊǶԵÄ

µ«²»Ò»¶¨Êǵõ½ÄãÏëÒªµÄ½á¹û£¬¿´ÄãÑо¿µÄÊÇʲôÓëʲôµÄRDF
Ò»°ãRDFÊÇ¿´Ä³Á½ÖÖÔ­×ÓÖ®¼äµÄRDF
±ÈÈçÓÐÈËÏë¿´OºÍHÖ®¼äµÄRDF£¬¿´Çâ¼ü´æÔڵĿÉÄÜÐÔ
¾ÍµÃÉ趨sets
½«HºÍO·Ö±ðÉ趨Ϊ2¸ösets
È»ºó¼ÆËã

xtdÎļþÎÒûÊÔ¹ý£¬ÎÒÖ»ÖªµÀxsdÊÇ¿ÉÒÔ¼ÆËãµÄ
RDF¼ÆËãÇóÖú
#ÓÐÎÊÌâ·¢ÂÛ̳£¬²»½ÓÊÜ˽ÁÄ#°®¾§Ì壬°®MaterialsStudio#MSר¼­µã»÷ÓÒ±ß#http://emuch.net/taotie/41673.html#ÎïÐÔÊý¾Ý#http://webbook.nist.gov/chemistry/#
2Â¥2013-08-06 13:59:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÌÀtao

Í­³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by pigrass at 2013-08-06 13:59:32
²Ù×÷·½·¨ÊǶԵÄ

µ«²»Ò»¶¨Êǵõ½ÄãÏëÒªµÄ½á¹û£¬¿´ÄãÑо¿µÄÊÇʲôÓëʲôµÄRDF
Ò»°ãRDFÊÇ¿´Ä³Á½ÖÖÔ­×ÓÖ®¼äµÄRDF
±ÈÈçÓÐÈËÏë¿´OºÍHÖ®¼äµÄRDF£¬¿´Çâ¼ü´æÔڵĿÉÄÜÐÔ
¾ÍµÃÉ趨sets
½«HºÍO·Ö±ðÉ趨Ϊ2¸ösets
È»ºó¼Æ ...

ллÄãµÄ»Ø¸´£¡ÎÒ¹´Ñ¡ÁËinclude intra-intermolecular componentsºÍinclucd periodic self-interactionÁ½¸öÑ¡Ï×îºó»ñµÃµÄRDFÇúÏßÓоÅÌõ£¬ÎÒÏë»ñµÃg£¨r£©(a-b),ÎÒ¸ÃÑ¡ÔñÄÄÒ»ÌõÄØ£¿
RDF¼ÆËãÇóÖú-1


RDF¼ÆËãÇóÖú-2


RDF¼ÆËãÇóÖú-3
20130807162812.jpg


RDF¼ÆËãÇóÖú-4
12.jpg

ºÃºÃŬÁ¦
3Â¥2013-08-07 16:31:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

pigrass

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒÁ¿¨Ë¹ÌصÄСÖí

ÒýÓûØÌû:
3Â¥: Originally posted by ÌÀtao at 2013-08-07 16:31:05
ллÄãµÄ»Ø¸´£¡ÎÒ¹´Ñ¡ÁËinclude intra-intermolecular componentsºÍinclucd periodic self-interactionÁ½¸öÑ¡Ï×îºó»ñµÃµÄRDFÇúÏßÓоÅÌõ£¬ÎÒÏë»ñµÃg£¨r£©(a-b),ÎÒ¸ÃÑ¡ÔñÄÄÒ»ÌõÄØ£¿



20130807162812.jpg

12.jp ...

Õâ¸öÎҾͲ»ÖªµÀÁË
inter·Ö×Ӽ䣬intra·Ö×ÓÄÚ£¬ÎÒ²»ÖªµÀg£¨r£©(a-b)ÊÇÖ¸µÄʲô

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

#ÓÐÎÊÌâ·¢ÂÛ̳£¬²»½ÓÊÜ˽ÁÄ#°®¾§Ì壬°®MaterialsStudio#MSר¼­µã»÷ÓÒ±ß#http://emuch.net/taotie/41673.html#ÎïÐÔÊý¾Ý#http://webbook.nist.gov/chemistry/#
4Â¥2013-08-07 16:50:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÌÀtao

Í­³æ (³õÈëÎÄ̳)

Ëͺ컨һ¶ä
ÒýÓûØÌû:
4Â¥: Originally posted by pigrass at 2013-08-07 16:50:42
Õâ¸öÎҾͲ»ÖªµÀÁË
inter·Ö×Ӽ䣬intra·Ö×ÓÄÚ£¬ÎÒ²»ÖªµÀg£¨r£©(a-b)ÊÇÖ¸µÄʲô...

ÎÒÏëÖªµÀµÄÊÇaºÍb·Ö×ÓÖ®¼äµÄRDFÇúÏߣ¬ÊÇÓ¦¸ÃÑ¡Ôñinter£¨a-b£©°É£¿
ºÃºÃŬÁ¦
5Â¥2013-08-07 16:58:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

pigrass

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒÁ¿¨Ë¹ÌصÄСÖí

ÎÒ¾õµÃÓ¦¸ÃÊÇÄǸöinterµÄÏß

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
#ÓÐÎÊÌâ·¢ÂÛ̳£¬²»½ÓÊÜ˽ÁÄ#°®¾§Ì壬°®MaterialsStudio#MSר¼­µã»÷ÓÒ±ß#http://emuch.net/taotie/41673.html#ÎïÐÔÊý¾Ý#http://webbook.nist.gov/chemistry/#
6Â¥2013-08-07 17:33:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ÌÀtao µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 279Çóµ÷¼Á +9 ÕÅ·¬ÇѲ»³´µ° 2026-04-11 9/450 2026-04-12 22:22 by paopaotu326
[¿¼ÑÐ] ÉúÎïѧ308Çóµ÷¼Á +5 ÏàÐűػá¹ââÍòÕ 2026-04-11 5/250 2026-04-12 18:14 by zhouxiaoyu
[¿¼ÑÐ] 308Çóµ÷¼Á +5 VvvvL 2026-04-10 5/250 2026-04-12 10:17 by babysonlkd
[¿¼ÑÐ] 326Çóµ÷¼Á +6 Shansyn 2026-04-10 6/300 2026-04-12 09:46 by hammer3
[»ù½ðÉêÇë] ɽ¶«Ê¡»ù½ð2026 +5 jerry681 2026-04-08 6/300 2026-04-12 08:33 by kudofaye
[¿¼ÑÐ] Çóµ÷¼Á£¬262»úеר˶ +8 àÅyyl 2026-04-08 8/400 2026-04-12 02:31 by Çï¶¹²ËÑ¿
[¿¼ÑÐ] Çóµ÷¼Á +6 СÄô°®Ñ§Ï° 2026-04-11 9/450 2026-04-11 21:20 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 291·Öµ÷¼Á +5 Éϰ¶Ð¡Ó¨¼ÓÓÍ 2026-04-09 6/300 2026-04-11 21:06 by ÄæË®³Ë·ç
[¿¼ÑÐ] 303Çóµ÷¼Á +14 SereinQ 2026-04-10 15/750 2026-04-11 20:43 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 11408¡£358Çóµ÷¼Á +3 TMYzds 2026-04-07 3/150 2026-04-11 17:10 by µªÆøÆøÆø
[¿¼ÑÐ] µ÷¼Á +5 ÎĵÀÐÇ̨ 2026-04-11 5/250 2026-04-11 15:01 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] 337Çóµ÷¼Á +4 ÑÐs. 2026-04-10 4/200 2026-04-11 08:57 by zhq0425
[¿¼ÑÐ] 314Çóµ÷¼Á +23 wakeluofu 2026-04-09 24/1200 2026-04-10 15:31 by MOF_Catal
[¿¼ÑÐ] 347²ÄÁÏר˶Çóµ÷¼Á +19 zj8215216 2026-04-06 19/950 2026-04-10 09:36 by 690616278
[¿¼ÑÐ] µ÷¼Á +19 2261744733 2026-04-08 19/950 2026-04-09 19:11 by vgtyfty
[¿¼ÑÐ] Çó»úеר˶297µÚ¶þÅúµ÷¼Á +5 ʰÆâ12¡£ 2026-04-08 5/250 2026-04-09 16:43 by Ôʵ±ÊʶÈ
[¿¼ÑÐ] 349ѧ¿Æ»¯Ñ§045106Çóµ÷¼Á£¬»¯Ñ§Àà¶¼¿ÉÒÔ +8 ±£ºÃ¶®¶® 2026-04-08 8/400 2026-04-09 14:03 by xulei3024
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤×¨Ë¶306·ÖÕÒºÏÊʵ÷¼Á +27 ²×º£ÇáÖÛe 2026-04-06 28/1400 2026-04-08 22:06 by wdyheheeh
[¿¼ÑÐ] »úе¹¤³Ì264ѧ˶Çóµ÷¼Á +3 qiushangxian 2026-04-06 3/150 2026-04-08 01:53 by Linzejun
[¿¼ÑÐ] 331Çóµ÷¼Á +5 ÕÅÔªÒ» 2026-04-07 6/300 2026-04-07 22:13 by hemengdong
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û