²é¿´: 3076  |  »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] Çóµ÷¼Á +3 °µÓ¿afhb 2026-03-16 3/150 2026-03-20 00:28 by ºÓÄÏ´óѧУÓÑ
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +3 sbdksD 2026-03-19 3/150 2026-03-19 23:21 by fmesaito
[¿¼ÑÐ] 294Çóµ÷¼Á²ÄÁÏÓ뻯¹¤×¨Ë¶ +14 ݤÎÉ­ÁÖ 2026-03-18 14/700 2026-03-19 22:38 by ѧԱ8dgXkO
[¿¼ÑÐ] ÉúÎïѧµ÷¼ÁÕÐÈË£¡£¡£¡ +3 ɽº£Ììá° 2026-03-17 4/200 2026-03-19 21:34 by ÔõôÊÍ»³
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +5 ioodiiij 2026-03-17 5/250 2026-03-19 18:22 by zcl123
[½Ìʦ֮¼Ò] ½¹ÂÇ +9 Ë®±ùÔÂÔÂÒ°Íà 2026-03-13 13/650 2026-03-19 09:50 by otani
[¿¼ÑÐ] 0703»¯Ñ§ 305Çóµ÷¼Á +4 FY_yy 2026-03-14 4/200 2026-03-19 05:54 by anny19840123
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çó¸÷λÀÏʦÊÕÁô +10 ÇïÓÐľ±± 2026-03-14 10/500 2026-03-19 05:52 by anny19840123
[¿¼ÑÐ] 311Çóµ÷¼Á +6 26ÑÐ0 2026-03-15 6/300 2026-03-18 14:43 by haxia
[¿¼ÑÐ] 303Çóµ÷¼Á +4 î£08 2026-03-17 6/300 2026-03-18 11:01 by Iveryant
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +6 zbzihdhd 2026-03-15 7/350 2026-03-18 09:53 by zhukairuo
[¿¼ÑÐ] 268Çóµ÷¼Á +6 ¼òµ¥µã0 2026-03-17 6/300 2026-03-18 09:04 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985 +4 ÕÅvvvv 2026-03-15 6/300 2026-03-17 17:15 by ruiyingmiao
[¿¼ÑÐ] ¶«ÄÏ´óѧ364Çóµ÷¼Á +5 JasonYuiui 2026-03-15 5/250 2026-03-16 21:28 by ľ¹Ï¸à
[¿¼ÑÐ] »úеר˶325£¬Ñ°ÕÒµ÷¼ÁԺУ +3 y9999 2026-03-15 5/250 2026-03-16 19:58 by y9999
[¿¼ÑÐ] 318Çóµ÷¼Á +3 Yanyali 2026-03-15 3/150 2026-03-16 16:41 by houyaoxu
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 26¿¼ÑÐÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ(»ª¶«)305·ÖÇóµ÷¼Á +3 ¼ÎÄêÐÂ³Ì 2026-03-15 3/150 2026-03-15 13:58 by ¹þ¹þ¹þ¹þºÙºÙºÙ
[¿¼ÑÐ] 22408×Ü·Ö284Çóµ÷¼Á +3 InAspic 2026-03-13 3/150 2026-03-15 11:10 by zhq0425
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û