±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1271  |  »Ø¸´: 2

XYLF

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] IRCÊäÈëÎļþµÄ±àд

Çó´óÉñÖ¸µ¼ IRC ¹Ø¼ü×Ö µÄÊäÈëÎļþµÄ±àд·½·¨£¡½Ì³ÌдµÄ²»ÊǺÜÏêϸ£¬×ܱ¨´í£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

kaegi

½ð³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

XYLF(½ð±Ò+1): 2011-05-20 23:43:59
ÒýÓûØÌû:
Originally posted by XYLF at 2011-05-05 21:58:57:
Çó´óÉñÖ¸µ¼ IRC ¹Ø¼ü×Ö µÄÊäÈëÎļþµÄ±àд·½·¨£¡½Ì³ÌдµÄ²»ÊǺÜÏêϸ£¬×ܱ¨´í£¡

%mem=8gb
%nproc=8
#p b3lyp/6-31G* irc=calcfc

irc

0 1
·Ö×Ó×ø±ê


Çë×ÔÐÐÌæ»»ircÃüÁîÐÐÒÔÍâµÄ²ÎÊý¼´¿É¡£
2Â¥2011-05-18 21:30:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

emmaxue

ľ³æ (ÕýʽдÊÖ)

¾ÍÊÇÕâÑùµÄ
itisnotprettysimple.
3Â¥2011-10-17 16:10:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ XYLF µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +6 ÏàÐűػá¹ââÍòÕ 2026-03-31 7/350 2026-04-02 23:16 by JourneyLucky
[¿¼ÑÐ] ¹¤¿Æ 267Çóµ÷¼Á +3 wanwan00 2026-04-02 5/250 2026-04-02 21:42 by wanwan00
[¿¼ÑÐ] 343Çóµ÷¼Á085601 +5 ҪŬÁ¦Ñ§Ï°x 2026-03-29 6/300 2026-04-02 21:18 by 1104338198
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¹¤Òµ´óѧ£¬324·ÖÇóµ÷¼Á +7 Áã°Ë# 2026-03-28 7/350 2026-04-02 21:09 by 1104338198
[¿¼ÑÐ] µ÷¼ÁÇóÖú +8 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-02 8/400 2026-04-02 20:47 by dongzh2009
[¿¼ÑÐ] 321Çóµ÷¼Á +12 y-yh 2026-04-01 14/700 2026-04-02 19:34 by ÅÁ¶ûÂíÀ­ÌØ
[¿¼ÑÐ] Çóµ÷¼ÁÇóµ÷¼Á +7 121. 2026-04-02 7/350 2026-04-02 19:15 by dick_runner
[¿¼ÑÐ] 348Çóµ÷¼Á +11 zzzzyk123 2026-04-01 11/550 2026-04-02 16:52 by Wang200018
[¿¼ÑÐ] Çóµ÷¼Á +7 Aniyaio 2026-04-02 7/350 2026-04-02 16:42 by zzsw+
[¿¼ÑÐ] ũѧ¿¼ÑÐÇóµ÷¼Á +3 dkdkxm 2026-04-01 3/150 2026-04-02 16:04 by wangjagri
[¿¼ÑÐ] 285Çóµ÷¼Á +14 AZMK 2026-04-02 14/700 2026-04-02 15:54 by ÉϾÅÌìÀ¿Ô£¨ºÃÔ
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +10 ÍÛºôºßºôºß 2026-04-01 11/550 2026-04-02 11:31 by lnilvy
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏʦ´ó0703»¯Ñ§ 275Çóµ÷¼Á +6 RipcordÉϰ¶ 2026-03-27 6/300 2026-04-02 11:19 by TTTpp
[¿¼ÑÐ] 324Çóµ÷¼Á +5 ÏëÉÏѧÇóµ÷ 2026-04-01 6/300 2026-04-02 10:16 by sanrepian
[¿¼ÑÐ] ¿¼Ñе÷¼Á0702 +3 ÷×ÓζÍíϼ 2026-03-28 3/150 2026-04-02 10:10 by jp9609
[¿¼ÑÐ] 290Çóµ÷¼Á +5 dfffsar 2026-03-29 5/250 2026-04-01 19:45 by 6781022
[¿¼ÑÐ] Ó¢Ò»Êý¶þÉúÎïÐÅϢѧ287·Ö£¬±¾¿ÆÉúÎï¿ÆÑ§£¬Çóµ÷¼Á +3 ±ÌË®xyz 2026-03-29 4/200 2026-04-01 15:35 by plum
[¿¼ÑÐ] 343Çóµ÷¼Á +8 °®î¿°í 2026-03-28 8/400 2026-03-31 16:12 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 085600£¬×¨Òµ¿Î»¯¹¤Ô­Àí£¬320·ÖÇóµ÷¼Á +6 ´ó²öС×Ó 2026-03-29 6/300 2026-03-31 10:03 by ÂÈ»¯ÑÇÏõõ£
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§0703×Ü·Ö337Çóµ÷¼Á +6 niko- 2026-03-27 6/300 2026-03-30 10:25 by herarysara
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û