±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 779  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

±¬·¢ÎÞÏÞDZÁ¦

гæ (³õÈëÎÄ̳)

[ÇóÖú] ¸ß˹ºÍNWchem¼ÆËãÄÜÁ¿µÄ²îÒì ÒÑÓÐ1È˲ÎÓë

ÔÚÏàͬµÄÌõ¼þÏ£¬Óøß˹¼ÆËã³öµÄÄÜÁ¿ÓëNWchem¼ÆËã³öµÄÄÜÁ¿²»Ò»ÑùÊÇÔõô»ØÊ£¬Ïà²îºÜ´ó£¬ÓÐʲô·½·¨½â¾ö£¬Çó´óÉñ°ïÖú

@ÎÒÏë¸ü¶®Äã29 @ÕçÊ¿Òþ207 ·¢×ÔСľ³æAndroid¿Í»§¶Ë
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

±¬·¢ÎÞÏÞDZÁ¦

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by ÆâÔÂСÓã at 2018-12-14 20:47:36
¼ÆËãÄÜ²î ¶ø²»Òª¼ÆËã¾ø¶ÔÄÜÁ¿

¾ø¶ÔÄÜÁ¿ºÍÏà¶ÔÄÜÁ¿¶¼²»Ò»Ñù

·¢×ÔСľ³æAndroid¿Í»§¶Ë
3Â¥2018-12-14 21:30:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

ÆâÔÂСÓã

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¼ÆËãÄÜ²î ¶ø²»Òª¼ÆËã¾ø¶ÔÄÜÁ¿

·¢×ÔСľ³æIOS¿Í»§¶Ë
2Â¥2018-12-14 20:47:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wangth0921

Ìú³æ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
²»Ó¦¸Ã²î±ðºÜ´ó¡£¿ÉÄܳöÏÖ²î±ðµÄÔ­Òò¶àÊýʱºòÊÇ NWChem Óõķ½Ê½²»¶Ô¡£Gaussian ×÷Ϊblack-boxÏà¶Ô'ÖÇÄÜ'µã£¬NWChemÐèÒª×÷һЩÉèÖᣲî±ðÌ«´óʱ¿ÉÒÔ¼ì²éһЩµØ·½£º(1) »ù×é´óС£¬GaussianÀïµÄ»ù×éÓÐcartesianºÍsphericalÖ®·Ö£¬NWChemºÃÏñdefaultÊÇspherical£»(2) ¶ÔС·Ö×Ó£¬ÌرðÊÇÓжԳÆÐÔʱ£¬¼ì²éÁ½¸ö¼ÆËãÊÇ·ñ¶ÔÓ¦ÏàͬµÄµç×Ó̬£»(3) ¿ª¿Ç²ã·Ö×Ó¼ÆËãʱ£¬NWChem¶àÓÃRHF²¨º¯Êý£¬Gaussian¶àÓÃUHF²¨º¯Êý£¬¡£¡£¡£ºÃ¾ÃûÓÃNWChemÁË
4Â¥2018-12-14 23:15:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 26¿¼Ñе÷¼Á0710 0860 +6 ²¹²¹²»²¹ 2026-04-03 7/350 2026-04-04 10:34 by rzh123456
[¿¼ÑÐ] 292Çóµ÷¼Á +5 2022080213 2026-04-04 5/250 2026-04-04 09:52 by ÌÆãå¶ù
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +11 Ò»ÑùYWY 2026-04-02 11/550 2026-04-03 23:46 by hemengdong
[¿¼ÑÐ] 0856£¬269·ÖÇóµ÷¼Á +15 ÓÐѧÉϾÍÐÐÇóÇóÁ 2026-03-30 18/900 2026-04-03 16:50 by melodiousnow
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] һ־Ըɽ¶«´óѧ»¯Ñ§Ó뻯¹¤Ñ§Ôº²ÄÁÏÓ뻯¹¤×¨Ë¶£¬360·ÖÇóµ÷¼Á +4 ²»Ô¸Í¸Â¶ÐÕÃûµÄË 2026-04-02 4/200 2026-04-03 09:29 by ÒÅÍüÏûʧµÄž™
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +6 ´ó²öС×Ó 2026-04-02 6/300 2026-04-02 21:54 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ²ÄÁÏѧ˶328·ÖÇóµ÷¼Á +6 1¶Îʱ¼ä 2026-03-31 7/350 2026-04-02 13:57 by 3041
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸ÖÐɽ´óѧÉîÛÚ²ÄÁϹ¤³Ì330Çóµ÷¼Á +8 pipiver 2026-03-30 8/400 2026-04-02 12:01 by ms629
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶£¬×Ü·Ö289·Ö +11 @taotao 2026-03-29 11/550 2026-04-02 10:04 by realme321
[¿¼ÑÐ] Çóµ÷¼Á0703 +5 ÖܼÎÒ¢ 2026-03-31 8/400 2026-04-01 20:32 by ltltkkk
[¿¼ÑÐ] 350Çóµ÷¼Á +7 °¢¼Ñ¡« 2026-03-31 7/350 2026-04-01 16:12 by yanflower7133
[¿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] 0855»úе³õÊÔ280Çóµ÷¼Á +3 kazenotori 2026-03-31 3/150 2026-04-01 10:08 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷½»´ó080500²ÄÁÏѧ˶349 +6 jqx1258 2026-03-31 7/350 2026-03-31 21:08 by yuq
[¿¼ÑÐ] 085601Ó¢¶þÊý¶þÇóµ÷¼Á ×Ü·Ö325 +4 Óຽº½ 2026-03-31 4/200 2026-03-31 17:38 by ÌÆãå¶ù
[¿¼ÑÐ] 085601 329·Öµ÷¼Á +6 yzsa12 2026-03-31 6/300 2026-03-31 15:23 by yanflower7133
[¿¼ÑÐ] ÇóÊÕÁô +8 1943443204 2026-03-28 8/400 2026-03-31 15:00 by -ÃÔÁË·°¡Â·
[¿¼ÑÐ] 276Çóµ÷¼Á +3 ÕԾûª 2026-03-29 3/150 2026-03-31 10:06 by cal0306
[¿¼ÑÐ] ¹þ¶û±õ¹¤Òµ´óѧ²ÄÁÏÓ뻯¹¤×¨Ë¶378Çóµ÷¼Á +3 Ëþ±ÈÎÚ˹ 2026-03-30 3/150 2026-03-30 22:55 by Î޼ʵIJÝÔ­
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û