| ²é¿´: 2371 | »Ø¸´: 2 | ||
dxyanľ³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
¹ØÓÚgeom=(check,step=n)ÈçºÎʹÓõÄÎÊÌâ
|
|
ÂÛ̳ÖÐÌáµ½Èç¹ûÔÏÈÉèÖÃϵÄÓÅ»¯×îÖÕÓÉÓÚÕðµ´Ã»ÄÜÊÕÁ²£¬¿ÉÒÔÌáÈ¡ÓÅ»¯¹ý³ÌÖÐÊÜÁ¦¡¢ÄÜÁ¿×îµÍµÄÒ»¸ö½á¹¹£¨¿ÉÒÔÌáÈ¡×ø±êÖØÐÂдÊäÈëÎļþ£¬Ò²¿ÉÒÔÓÃgeom=(check,step=n)¶ÁÈ¡µÚn²½µÄ×ø±ê£©¡£Èç¹ûÔÚGaussviewÖØÐ½¨Á¢ÊäÈëÎļþµÄ»°£¬additional keyword À¸Ð´geom=(check,step=n)¿ÉÒÔÌáÈ¡µÚn²½µÄ½á¹¹£¬ÄÇôGaussview»Í¼½çÃæËæ±ã»Ò»¸ö½á¹¹¾ÍÐÐÁËÂ𣿠ɾȥÔÓÐ×ø±ê£¬µ½Ê±Ìá½»µ½¸ß˹»á´Ó¼ì²éµãÎļþÖØÐ¶ÁÈëµÚn²½µÄ½á¹¹Âð£¿ÎÒÕâÑùÌá½»ºóÎÞ·¨¼ÆË㣬²»ÖªÎÊÌâ³öÔÚÄÄÀ Õâ¸öÌû×ÓÒ²ÓÐÀàËÆµÄ×ö·¨http://muchong.com/bbs/viewthread.php?tid=3835667 иÄÊäÈëÎļþÈçÏ£¨·Ö×Ó×ø±ê¡£µçºÉ¡£×ÔÐý¶àÖØ¶È¶¼É¾ÁË£¬Ïë×Å´Ó¼ì²éµãÎļþÌáÈ¡£©£¬¼ì²éµãÎļþÒ²ÊÇͬÃû£¬¿ÉÊǸß˹¼ÆËã²»ÁË¡£ÄĸöµØ·½Åª´íÁË£¿ %nprocshared=8 %mem=512MW %chk=alfa-tp3.chk # opt rb3lyp/6-31+g(d,p) geom=(connectivity,check,step=19) Title Card Required ÎÊÌâ±È½Ï¶à£¬ÇóºÃÐÄÈ˶à¶à´Í½Ì |
» ²ÂÄãϲ»¶
ÇóENDNOTEÆÆ½âÈí¼þ°²×°°ü
ÒѾÓÐ4È˻ظ´
Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ78È˻ظ´
ºÓº£´óѧ £¨211.˫һÁ÷¸ßУ£©¸ÆîÑ¿ó¹âµçʵÑéÊÒ¶¡ÓÂÍŶӻ¶ÓÓÐÖ¾ÇàÄ꣡
ÒѾÓÐ3È˻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
ÒѾÓÐ3È˻ظ´
26²©Ê¿ÉêÇë
ÒѾÓÐ0È˻ظ´
Ò»Ö¾Ô¸ÄÏʦ´ó0703»¯Ñ§ 275Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
A Çø¹ýÏ߾ͿÉÉê£¡ÖØÇìË«·Ç¹«°ì¸ßУ 0856µ÷¼Á£¬½ÓÊÜ¿çרҵ£¡ÄÉÃײÄÁÏ / Èó»¬ÈÈÃÅ·½Ïò
ÒѾÓÐ0È˻ظ´
»¶Óµ÷¼Á³¤½Ê¦·¶Ñ§ÔºÌÀÀÏʦ¿ÎÌâ×éµÄ˶ʿÑо¿Éú
ÒѾÓÐ0È˻ظ´
Öйúµç»ú¹¤³Ìѧ±¨µÄͶ¸åϵͳ
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
׿ÎĶû
ľ³æ (Ö°Òµ×÷¼Ò)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 12788.8
- É¢½ð: 181
- ºì»¨: 6
- ɳ·¢: 5
- Ìû×Ó: 3207
- ÔÚÏß: 106.3Сʱ
- ³æºÅ: 4549682
- ×¢²á: 2016-03-28
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
2Â¥2018-09-17 16:16:35
cherushui
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 10 (Ó×¶ùÔ°)
- ½ð±Ò: 105.9
- ºì»¨: 4
- Ìû×Ó: 82
- ÔÚÏß: 18.7Сʱ
- ³æºÅ: 3058285
- ×¢²á: 2014-03-16
- רҵ: µç»¯Ñ§
|
µçºÉ ×ÔÑ¡¶àÖØ¶ÈÓ¦¸Ã±£Áô£¬ÏÂÃæ²»ÐèÒª×ø±ê£¬Ö±½Ó½ÓÁ½¸ö¿ÕÐм´¿É¡£ ·¢×ÔСľ³æAndroid¿Í»§¶Ë |

3Â¥2018-09-19 12:57:17














»Ø¸´´ËÂ¥