| ²é¿´: 892 | »Ø¸´: 1 | ||
zhangsanËêÌú³æ (³õÈëÎÄ̳)
|
[ÇóÖú]
ÔõôÓÃdmol3Ä£¿éÄ£Äâ½ðÊôÎü¸½ ÒÑÓÐ1È˲ÎÓë
|
СµÜÐÂѧ¼ÆË㣬ÏëÓÃdmol3Ä£¿é¶ÔС·Ö×ÓÔÚË®ÈÜÒºÖеĽðÊôÎü¸½½øÐÐÄ£Ä⣬µ«ÊDz»»áÉèÖã¬ÏëÇë´óÉñÃǽÌÒ»½Ì![]() ![]() |
» ²ÂÄãϲ»¶
ÓжàÉÙÈËÊǽñÌì²éϵͳ֪µÀ½á¹ûµÄ£¿
ÒѾÓÐ17È˻ظ´
»ù½ð²»ÖУ¬¹²Ãã
ÒѾÓÐ4È˻ظ´
¹ú×ÔÈ»ÃæÉϸ´ÅÌ~»¶ÓÌÖÂÛ
ÒѾÓÐ5È˻ظ´
ÎÒ²»Àí½â£¡
ÒѾÓÐ23È˻ظ´
2026ÄêµÄ¹ú¼ÒÉç¿Æ»ù½ðÏîĿͨѶÆÀÉóµÄйæÔòÓëж¯Ïò¡¢ÐÂÌôÕ½
ÒѾÓÐ10È˻ظ´
ϵͳ²é²»µ½
ÒѾÓÐ10È˻ظ´
Ôõô²é°¡
ÒѾÓÐ5È˻ظ´
·¶½øÖоÙÒ»ÎĵÄÖÐÐÄ˼Ïë
ÒѾÓÐ10È˻ظ´
2026¹ú×ÔÈ»º¯ÆÀ·Ñµ½ÕË
ÒѾÓÐ25È˻ظ´
2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂð£¿
ÒѾÓÐ28È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
diyuli
гæ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 549.5
- É¢½ð: 7
- Ìû×Ó: 54
- ÔÚÏß: 21.4Сʱ
- ³æºÅ: 1098654
- ×¢²á: 2010-09-14
- ÐÔ±ð: MM
- רҵ: ½ðÊô»ù¸´ºÏ²ÄÁÏ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
|
ÎÒÒ²ÔÚ×öÀàËÆµÄÄ£Äâ¼ÆËã¡£ ÏÈÏȶÔС·Ö×Ó»ò½ðÊô½øÐÐÓÅ»¯½á¹¹¡£ Dmol3-Calculation-Ggometry optimization´ò¿ªÉèÖýçÃæ È»ºóÑ¡Ôñquality Ñ¡Ôñ·½·¨£º±ÈÈçGGA+PBE moreÑ¡ÏîÀïÃæ¾ßÌåÉèÖÃSCFÊÕÁ²²ÎÊý£¬Ò»°ãÓÐÄÜÁ¿¡¢×î´óÁ¦¡¢×î´óÎ»ÒÆÊÕÁ²²ÎÊýÉèÖá£ÖØÒª²ÎÊýÒ»°ãͨ¹ýÎÄÏ×À´²Î¿¼¡£ È»ºóÒ»¶¨Òª¹´Ñ¡COSMOÄ£ÐÍ¡£È»ºó¿ÉÒÔ¹´Ñ¡½éµç³£Êý£¨±ÈÈç×Ô´øÓÐË®¡¢ÃºÓ͵ȵģ©×Ô¼º¹´Ñ¡£¬È»ºó½øÐмÆËã¼´¿É¡£ ĿǰÎÒµÄÎÊÌâÊÇ£¬Ó¦¸ÃÓÅ»¯ÓлúС·Ö×ÓÈ»ºóÎü¸½µ¥¸ö½ðÊôÀë×Ó£¬»¹ÊÇÓ¦¸Ã½«½ðÊô¾§°ûÓÅ»¯ºóÔÙÎü¸½ÓÅ»¯µÄС·Ö×ӽṹ¡£ Ç×Èç¹ûÖªµÀ¿É·ñ»Ø´ðÎÒµÄÎÊÌ⣿ |

2Â¥2019-12-05 10:38:14










»Ø¸´´ËÂ¥