| ²é¿´: 1110 | »Ø¸´: 6 | |||
gnliͳæ (СÓÐÃûÆø)
|
[½»Á÷]
¡¾ÇóÖú¡¿gaussianÔõô×öPED·ÖÎö£¿»òÓÐÆäËûÃâ·ÑÈí¼þ¿ÉÒÔ×öÂ𣿠ÒÑÓÐ4È˲ÎÓë
|
|
ÓÃgaussian¼ÆËãÁËÕñ¶¯Æ×£¬´Ógview¿´Õñ¶¯Ä£Ê½ºÜ¸´ÔÓ£¬¼¸ºõËùÓеÄÔ×Ó¶¼ÔÚÕñ¶¯¡£ ´ÓÎÄÏ׿´µ½ÓÐÈË×ö PED (Potential energy distribution) analysis£¬ÇëÎÊÓÐûÓÐÈËÖªµÀÕâÊÇÔõô×öµÄ£¿ gaussianÄÜÖ±½Ó×öÂ𣿻¹ÊÇÐèÒªÆäËûÈí¼þ£¿ |
» ²ÂÄãϲ»¶
·Ö×Ó¶¯Á¦Ñ§ Plumed½Ì³ÌÇóÖú
ÒѾÓÐ0È˻ظ´
΢ÄÉhub£¬Î¢Äɼӹ¤µÄ±¦¿â
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ176È˻ظ´
Ñо¿ÉúѧÊõÐÂÈñ½±£üÄþ²¨Î¢ÄɲÄÁÏÑÐÌÖ»á²Î»á֪ͨ
ÒѾÓÐ2È˻ظ´
ÉêÇë2027Äê²ÄÁÏ/»¯Ñ§À಩ʿ
ÒѾÓÐ6È˻ظ´
΢Äɼӹ¤ÀïµÄ lift-off ¹¤ÒÕ
ÒѾÓÐ0È˻ظ´
ÇóÏà¹ØºÏ³ÉÌõ¼þ
ÒѾÓÐ12È˻ظ´
2027´º¼¾É격×Ô¼ö
ÒѾÓÐ6È˻ظ´
Çà»ùµÄ²ÄÁÏÇཷÃÇ£¬¿ÉÒÔ°Ñ˶ʿÁªÅàÉúËÍÎÒÕâÀҪÑжþÄÐÉú
ÒѾÓÐ63È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
gaussian 09 ×öºÃÊäÈëÎļþºó×ÜÊǹØÁª²»ÉÏ£¬×Ü˵ÕÒ²»µ½Îļþ£¬Çë¸ßÊÖÖ¸µã£¡
ÒѾÓÐ16È˻ظ´
Óйػ¯Ñ§¼ÆËãÈí¼þGaussianºÍhyperchemµÄÇø±ð¼°Æä¸÷×ԵŦÄÜ
ÒѾÓÐ1È˻ظ´
ÔÚGaussian 09 ¼ÆËãÖÐÔõô×öºË¶³½á´¦Àí£¿
ÒѾÓÐ6È˻ظ´
¹ØÓÚgaussianÖйìµÀ³É·Ö·ÖÎö
ÒѾÓÐ16È˻ظ´
¡¾ÇóÖú¡¿Gaussian ÖеÄNBO·ÖÎö
ÒѾÓÐ5È˻ظ´
¡¾·ÖÏí¡¿gaussianÈí¼þÖеÄTEST
ÒѾÓÐ4È˻ظ´
¡¾ÇóÖú¡¿ORCA, Turbomole, GamessÕâЩÈí¼þ±ÈGAUSSIANÓÐʲôÓÅÊÆÂð
ÒѾÓÐ4È˻ظ´

henuhaog
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 5 (Ó×¶ùÔ°)
- ½ð±Ò: 1462.1
- Ìû×Ó: 440
- ÔÚÏß: 56.6Сʱ
- ³æºÅ: 760839
- ×¢²á: 2009-04-30
- ÐÔ±ð: GG
- רҵ: ¹âѧ
¡ï
heyo_123(½ð±Ò+1):ллÌáʾ£¡£¡£¡ 2010-06-15 08:43:34
heyo_123(½ð±Ò+1):ллÌáʾ£¡£¡£¡ 2010-06-15 08:43:34
| ÒªÆäËûµÄÈí¼þ²ÅÐУ¬ÏÖÔÚûÓÐÃâ·ÑµÄ |
2Â¥2010-06-15 08:17:04
3Â¥2010-06-15 15:52:59
gnli
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 298.1
- É¢½ð: 20
- Ìû×Ó: 273
- ÔÚÏß: 24.1Сʱ
- ³æºÅ: 294810
- ×¢²á: 2006-11-11
- ÐÔ±ð: MM
- רҵ: ÀíÂۺͼÆË㻯ѧ

4Â¥2010-06-15 15:53:47
henuhaog
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 5 (Ó×¶ùÔ°)
- ½ð±Ò: 1462.1
- Ìû×Ó: 440
- ÔÚÏß: 56.6Сʱ
- ³æºÅ: 760839
- ×¢²á: 2009-04-30
- ÐÔ±ð: GG
- רҵ: ¹âѧ
¡ï
gnli(½ð±Ò+10):ÄãÄܲ»Äܸø±àд¸ö³ÌÐò°¡ 2010-06-25 22:36:50
heyo_123(½ð±Ò+1):¹ÄÀø½»Á÷£¡£¡ 2010-06-27 15:05:53
gnli(½ð±Ò+10):ÄãÄܲ»Äܸø±àд¸ö³ÌÐò°¡ 2010-06-25 22:36:50
heyo_123(½ð±Ò+1):¹ÄÀø½»Á÷£¡£¡ 2010-06-27 15:05:53
| Ò»°ã¶¼ÊÇÊÇ×Ô¼º±àµÄÈí¼þ¡£¸ù¾ÝÕñ¶¯µÄÄÜÁ¿·Ö²¼½«Æä·Ö½âΪ¼¸¸öÕñ¶¯Ö®ºÍ¡£ |
5Â¥2010-06-15 21:27:33
henuhaog
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 5 (Ó×¶ùÔ°)
- ½ð±Ò: 1462.1
- Ìû×Ó: 440
- ÔÚÏß: 56.6Сʱ
- ³æºÅ: 760839
- ×¢²á: 2009-04-30
- ÐÔ±ð: GG
- רҵ: ¹âѧ
¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
heyo_123(½ð±Ò+1):¹ÄÀø½»Á÷£¡£¡ 2010-06-27 15:05:47
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
heyo_123(½ð±Ò+1):¹ÄÀø½»Á÷£¡£¡ 2010-06-27 15:05:47
| ÎÒµÄˮƽ²»¹»¡£Äã¿ÉÒÔÎÊÎÊÆäËûµÄ¿ÎÌâ×飬ÏôóµÄÌïÖÐȺ£¬Ç廪µÄÎâ¹úè壬ºÓÄϿƼ¼´óѧµÄÁõÕÕ¾ü |
6Â¥2010-06-27 10:19:30
yangwenpeng
гæ (ÕýʽдÊÖ)
- Ó¦Öú: 13 (СѧÉú)
- ½ð±Ò: 670.5
- ºì»¨: 5
- Ìû×Ó: 583
- ÔÚÏß: 91.5Сʱ
- ³æºÅ: 1468602
- ×¢²á: 2011-10-31
- רҵ: µç»¯Ñ§
¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
| http://hi.baidu.com/sobereva/item/79a9f5bc639b52f163388ec3Äã¿´¿´ÕâÀӦ¸Ã¾Í»á¼ÆËãÁË |
7Â¥2012-09-04 08:48:36









»Ø¸´´ËÂ¥
ͶƱ: