Znn3bq.jpeg
²é¿´: 2294  |  »Ø¸´: 8

licaiqin

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] ¹ØÓÚ¸ß˹µÄ»ù×飬Éó¸åÈËÒâ¼û¶ÔZnÔ­×ÓÓÃtriple-zeta»ù×é

Çë½Ì´ó¼Ò¸ö¸ß˹µÄÎÊÌ⣺ZnÔ­×ÓÓõĻù×éÊÇLanl2dz,×öµ¥µãÈç¹ûÓÃtriple-zeta¿ÉÒÔÓÃÄÄЩ»ù×éÄØ£¿Ð»Ð»À²
ÔÚÎÄÕµļÆËãÖУ¬ÎÒÃÇÌåϵ°üº¬C,H,O,N,FÒÔ¼°Zu¡£ZnʹÓõÄÊÇLAN2DZ»ù×é¡£Éó¸åÒâ¼û×öµ¥µãÈÃÓÃtrip-zeta»ù×é¡£ËùÒÔÏëÇëÎÊһϣº
ÄÄЩ»ù×é±È½ÏÊʺÏÄØ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lihb734

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

Õ¾ÔÚ¼ÆË㻯ѧÈëÃŵÄÃż÷ÉÏ

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
licaiqin(½ð±Ò+10): ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2012-02-23 19:44:55
gmy1990(½ð±Ò+1): 2012-02-23 19:47:59
def2-TZVP
LANL2TZϵÁÐ
ǰ;¹âÃ÷£¬³ö·ÄÑÃÙ£¡
2Â¥2012-02-23 15:19:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

licaiqin

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Â¥: Originally posted by lihb734 at 2012-02-23 15:19:09:
def2-TZVP
LANL2TZϵÁÐ

ÄãµÄÒâ˼ÊÇËùÓеÄÔ­×Ó¶¼¿ÉÒÔÓÃÕâÁ½¸ö»ù×éÂð£¿ÎÒ֮ǰÊÇÓ÷ֻù×é×öµÄ
3Â¥2012-02-23 18:34:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

licaiqin

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by lihb734 at 2012-02-23 15:19:09:
def2-TZVP
LANL2TZϵÁÐ

ÄãµÄÒâ˼ÊÇËùÓеÄÔ­×Ó¶¼¿ÉÒÔ²ÉÓÃÕâÁ½¸ö»ù×éÊÇÂ𣿠Äĸö¸üºÃÒ»Ð©ÄØ£¿ ÎÒ֮ǰÊÇÓ÷ֻù×é×öµÄ
4Â¥2012-02-23 18:35:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lihb734

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

Õ¾ÔÚ¼ÆË㻯ѧÈëÃŵÄÃż÷ÉÏ

ǰ;¹âÃ÷£¬³ö·ÄÑÃÙ£¡
5Â¥2012-02-23 19:34:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

licaiqin

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by lihb734 at 2012-02-23 19:34:58:
http://muchong.com/bbs/viewthread.php?tid=2904409

ÄǸöÌû×ÓÎÒ¿´µ½Á˹þ£¡ÔÙ°ïÎÒ½â¾ö¸öÎÊÌâ°É£¡ÄǸöÌû×ÓÓнð±ÒË͹þ
http://muchong.com/bbs/viewthread.php?tid=4151976
6Â¥2012-02-23 19:43:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lihb734

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

Õ¾ÔÚ¼ÆË㻯ѧÈëÃŵÄÃż÷ÉÏ

ÒýÓûØÌû:
4Â¥: Originally posted by licaiqin at 2012-02-23 18:35:41:
ÄãµÄÒâ˼ÊÇËùÓеÄÔ­×Ó¶¼¿ÉÒÔ²ÉÓÃÕâÁ½¸ö»ù×éÊÇÂ𣿠Äĸö¸üºÃÒ»Ð©ÄØ£¿ ÎÒ֮ǰÊÇÓ÷ֻù×é×öµÄ

¿ÉÒÔ£¬Ç°Õß
ǰ;¹âÃ÷£¬³ö·ÄÑÃÙ£¡
7Â¥2012-02-23 19:57:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÕÅõÃÀ

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by lihb734 at 2012-02-23 15:19:09
def2-TZVP
LANL2TZϵÁÐ

ÄãºÃ£¬ÎÒÏëÎÊÒ»ÏÂdef2TZVPÊÇ·ñ¿¼Âǵ½Ïà¶ÔÂÛЧӦÁË
×öÎÄÕ£¬Óï²»¾ªÈËÊIJ»ÐÝ£¡
8Â¥2013-12-30 16:04:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lihb734

Ìú¸Ëľ³æ (Ö°Òµ×÷¼Ò)

Õ¾ÔÚ¼ÆË㻯ѧÈëÃŵÄÃż÷ÉÏ

ÒýÓûØÌû:
8Â¥: Originally posted by ÕÅõÃÀ at 2013-12-30 16:04:27
ÄãºÃ£¬ÎÒÏëÎÊÒ»ÏÂdef2TZVPÊÇ·ñ¿¼Âǵ½Ïà¶ÔÂÛЧӦÁË...

½ðÊôµÄECP´ó¶à¶¼»á¿¼Âǵģ¬Ö»ÊÇ¿¼ÂǵÄÉîdz°ÕÁË
ǰ;¹âÃ÷£¬³ö·ÄÑÃÙ£¡
9Â¥2013-12-30 16:33:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ licaiqin µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó070300»¯Ñ§£¬314·ÖÇóµ÷¼Á +4 wakeluofu 2026-04-09 4/200 2026-04-09 09:41 by СÎïÀí»¯Ñ§
[¿¼ÑÐ] Çóµ÷¼Á +3 ÖíÈâ¶Õ·ÛÌõcc 2026-04-08 3/150 2026-04-09 08:43 by GouQ
[¿¼ÑÐ] 296Çóµ÷¼Á +6 Íô£¡£¿£¡ 2026-04-08 6/300 2026-04-08 21:38 by ÖìÔÆ»¢202
[¿¼ÑÐ] ²ÄÁÏ¿¼ÑÐÇóµ÷¼Á×Ü·Ö280 +30 mkjlz1 2026-04-06 35/1750 2026-04-08 21:25 by cyh¡ª315
[¿¼ÑÐ] 275 Çóµ÷¼Á +8 Lei812514 2026-04-07 8/400 2026-04-08 12:46 by chemisry
[¿¼ÑÐ] 281Çóµ÷¼Á +10 Ò¬×ÓÄ¢¹½ 2026-04-06 10/500 2026-04-08 11:43 by zzucheup
[¿¼ÑÐ] 287Çóµ÷¼Á +6 Fnhc 2026-04-07 6/300 2026-04-08 10:05 by xingguangj
[¿¼ÑÐ] Èí¹¤Ñ§Ë¶299Çóµ÷¼Á +6 useryy 2026-04-07 6/300 2026-04-07 09:50 by vgtyfty
[¿¼ÑÐ] 0857´óÀà»·¾³¹¤³ÌBÇøÇóµ÷¼Á +3 ¹¨ÓíÃú 2026-04-05 3/150 2026-04-06 10:22 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁÏר˶283Çóµ÷¼Á +17 ÊÔÊÔ¿´ß 2026-04-04 18/900 2026-04-06 09:24 by 286640313
[¿¼ÑÐ] 348Çóµ÷¼Á +6 wukira 2026-04-04 6/300 2026-04-05 18:11 by Öí»á·É
[¿¼ÑÐ] 325Çóµ÷¼Á +4 ´º·ç²»½èÒâ 2026-04-04 4/200 2026-04-04 22:08 by à£à£à£0119
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +10 ÀÁÑòÑòÇáÖÃÓñÍÎ 2026-04-02 11/550 2026-04-04 21:56 by laoshidan
[¿¼ÑÐ] 283Çóµ÷¼Á +4 mcbbc 2026-04-03 5/250 2026-04-04 20:51 by imissbao
[¿¼ÑÐ] 324Çóµ÷¼Á +14 ÏëÉÏѧÇóµ÷ 2026-04-02 15/750 2026-04-04 20:31 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ±¾¿Æ211£¬×¨Òµ085404£¬293·ÖÇëÇóµ÷¼Á +5 Á«²Ë¾ÍÊÇź°É 2026-04-04 5/250 2026-04-04 14:08 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] 268Çóµ÷¼Á +8 ÄãºÃtg 2026-04-03 9/450 2026-04-04 05:08 by gswylq
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©½»Í¨´óѧ²ÄÁϹ¤³Ì×Ü·Ö358 +4 cs0106 2026-04-03 4/200 2026-04-03 13:41 by °ÙÁéͯ888
[¿¼ÑÐ] Çóµ÷¼Á +3 ÐÄÏëÊÂ³É¿É 2026-04-03 3/150 2026-04-03 11:22 by wangjy2002
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û