| ²é¿´: 2273 | »Ø¸´: 1 | ||
hktk001653ľ³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
GAMESSÔ¤²â×ÏÍâ¿É¼ûÎüÊÕ¹âÆ×³öÏÖÏÂÁÐÓï¾ä£¬Ê²Ã´Òâ˼£¿ ÒÑÓÐ1È˲ÎÓë
|
|
ÈçÌ⣬ ²Ù×÷·½·¨£ºGAMESS--predict Uv/vis spectrum---DFT--grid based---B3LYP---6-31G---run ºó³öÏÖÏÂÁÐÓï¾ä£¬Ê²Ã´Òâ˼£¿Ð»Ð»£¡ GAMESS Job: Predict UV/Vis Spectrum B3LYP/6-31G error: An error has occurred during the GAMESS calculation. Please see the GAMESS output file for more information: D:\ÎÒµÄÎĵµ\GAMESS Interface\Untitled-1.out |
» ²ÂÄãϲ»¶
¾Å½Ñ§Ôº2026Äê×îи߲ã´ÎÈ˲ÅÕÐÆ¸¹«¸æ
ÒѾÓÐ0È˻ظ´
ÉîÛÚÐÅÏ¢Ö°Òµ¼¼ÊõѧԺ2026Äê½ÌʦÕÐÆ¸¹«¸æ£¨×îУ©
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ270È˻ظ´
ÇóENDNOTEÆÆ½âÈí¼þ°²×°°ü
ÒѾÓÐ4È˻ظ´
³ÏÑûÓÐ־֮ʿ¼ÓÈë½ËÕ´óѧ»·¾³Ñ§ÔººÏ³ÉÉúÎïѧ¿ÎÌâ×飡(³¤ÆÚ½ÓÊÕѧ˶ר˶¡¢Ë¶²©Á¬¶Á)
ÒѾÓÐ16È˻ظ´
Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
ºÓº£´óѧ £¨211.˫һÁ÷¸ßУ£©¸ÆîÑ¿ó¹âµçʵÑéÊÒ¶¡ÓÂÍŶӻ¶ÓÓÐÖ¾ÇàÄ꣡
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸ÄÏ´óÀíÂÛÓë¼ÆË㻯ѧ·½Ïò£¨070300£©342·Ö£¬Çóµ÷¼Á
ÒѾÓÐ1È˻ظ´
»¶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´
ɽÎ÷´óѧ×ÊÔ´Óë»·¾³¹¤³ÌÑо¿Ëù»¯¹¤·ÖÀë/»·¾³¹¦ÄܲÄÁÏС×éÕÐÊÕ2026Ä격ʿÉú
ÒѾÓÐ2È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
Gaussian¼ÆËãµÄ±½×ÏÍâ¹âÆ×ºÍ½Ì²ÄÉϵIJî±ðÌ«´ó£¬ÇóÖú
ÒѾÓÐ10È˻ظ´
¡¾ÇóÖú¡¿¹²éºÏÎïÈçºÎÓÃChemOffice¼ÆËãHOMOºÍLUMO
ÒѾÓÐ32È˻ظ´
dilini
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 679.5
- Ìû×Ó: 52
- ÔÚÏß: 57.6Сʱ
- ³æºÅ: 1415477
- ×¢²á: 2011-09-24
- ÐÔ±ð: GG
- רҵ: »úеĦ²ÁѧÓë±íÃæ¼¼Êõ
2Â¥2018-12-30 10:19:39













»Ø¸´´ËÂ¥
50