±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2186  |  »Ø¸´: 14
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

chemstar8502

[½»Á÷] ¡¾ÇóÖú¡¿Çë½ÌgaussianƵÂʼÆËã ÒÑÓÐ14È˲ÎÓë

¶ÔÒ»¸öÓÅ»¯ºÃµÄ½á¹¹½øÐÐÆµÂʼÆË㣬70¸öÔ­×Ó£¬b3lyp/6-31g(d)

ÏÖÔÚ´¦ÓÚforming 2 electron integral derivativeÒѾ­Á½ÌìÁË£¬outÎļþÀïÃæÒ²Ò»Ö±Ã»ÓÐʲô¸üÐÂ

ÇëÎÊϸ÷λ¸ßÊÖÕâ¸ö״̬Õý³£Âð£¿
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yzw525838362

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÎÒÏÖÔÚÒ²ÔÚËãramanƵÂÊ£¬¸Ð¾õËã³öÀ´µÄ·åÇ¿ºÍʵ¼ÊµÄÓкܴóµÄ²î±ð£¬Æ©Èç±½µÄ1000×óÓҵķåÇ¿¾ÍºÜС£¬²»ÖªµÀÂ¥Ö÷Óö¼ûÕâÖÖÇé¿ö²»£¬ÓÐʲô½â¾ö·½°¸
15Â¥2010-08-10 14:55:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 15 ¸ö»Ø´ð

fooo

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
erylingjet(½ð±Ò+1):¸Ðл½»Á÷! 2010-05-13 09:23:56
Õý³£°É¡£ÄãµÄÌåϵÒѾ­ºÜ´óÁË£¬×îºóÄÜ·ñËã³öÀ´¿ÖÅ»¹ÊǸöÎʺš£
ÒýÓûØÌû:
Originally posted by chemstar8502 at 2010-05-13 07:52:31:
¶ÔÒ»¸öÓÅ»¯ºÃµÄ½á¹¹½øÐÐÆµÂʼÆË㣬70¸öÔ­×Ó£¬b3lyp/6-31g(d)

ÏÖÔÚ´¦ÓÚforming 2 electron integral derivativeÒѾ­Á½ÌìÁË£¬outÎļþÀïÃæÒ²Ò»Ö±Ã»ÓÐʲô¸üÐÂ

ÇëÎÊϸ÷λ¸ßÊÖÕâ¸ö״̬Õý³£Âð£¿

2Â¥2010-05-13 08:53:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

kekemi_1127

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
erylingjet(½ð±Ò+1):¸Ðл½»Á÷! 2010-05-13 09:24:03
´óÁ˾ÍÊÇÀÁµÃµÈ°¡£¬×ö¸ß˹¾ÍÊǸö·ÑʱµÄ»î
3Â¥2010-05-13 08:55:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mengxiang9251

ľ³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Õý³££¬ËãÆµÂʾÍÊǺÜÂý
4Â¥2010-05-13 10:44:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[˶²©¼ÒÔ°] Çóµ÷¼Á Óлú»¯Ñ§¿¼ÑÐ356·Ö +3 Nadiums 2026-03-25 4/200 2026-03-29 00:50 by 544594351
[¿¼ÑÐ] 085600 ²ÄÁÏÓ뻯¹¤ 329·ÖÇóµ÷¼Á +10 Mr. Z 2026-03-25 10/500 2026-03-29 00:34 by ÎÒÊÇС¿µ
[¿¼ÑÐ] 0856Çóµ÷¼Á +6 —öèñ 2026-03-28 6/300 2026-03-29 00:31 by 544594351
[¿¼ÑÐ] 2026Ä껪ÄÏʦ·¶´óѧ»¶Ó­»¯Ñ§£¬»¯¹¤£¬ÉúÎÉúÒ½¹¤µÈרҵÓÅÐãѧ×Ó¼ÓÈ룡 +3 llss0711 2026-03-28 5/250 2026-03-29 00:23 by MRMFYTL
[¿¼ÑÐ] 22408 359·Öµ÷¼Á +4 Qshers 2026-03-27 5/250 2026-03-28 21:26 by zhq0425
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +9 ÄÌÓͲÝÝ®. 2026-03-22 10/500 2026-03-28 13:30 by ÌÆãå¶ù
[¿¼ÑÐ] 0856£¬²ÄÁÏÓ뻯¹¤321·ÖÇóµ÷¼Á +12 ´ó²öС×Ó 2026-03-27 13/650 2026-03-28 10:56 by self2008
[¿¼ÑÐ] 081200-314 +3 LILIQQ 2026-03-27 4/200 2026-03-28 09:41 by ±£»¤µØÇòÄãÎÒ×öÆ
[¿¼ÑÐ] 265Çóµ÷¼Á11408 +3 ÁõС¹lu 2026-03-27 3/150 2026-03-27 20:53 by nihaoar
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ 070300 ѧ˶ 336·Ö Çóµ÷¼Á +9 vvÃÔ 2026-03-22 9/450 2026-03-27 15:59 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬335·Ö£¬0856£¬Çóµ÷¼ÁԺУºÍµ¼Ê¦ +4 Çã____Ïô 2026-03-27 5/250 2026-03-27 11:52 by zhshch
[¿¼ÑÐ] 314Çóµ÷¼Á +3 ÏªÔÆçæ 2026-03-26 3/150 2026-03-27 11:20 by sanrepian
[¿¼ÑÐ] ¿¼Ñе÷¼Á +9 СÀ¯ÐÂ±Ê 2026-03-26 9/450 2026-03-27 11:10 by ²»³Ôô~µÄ؈
[ÂÛÎÄͶ¸å] Journal of Mechanical Science and Technology +3 Russ_ss 2026-03-25 5/250 2026-03-27 10:49 by ½С¹û»­´ó±ý
[¿¼ÑÐ] 286Çóµ÷¼Á +4 lim0922 2026-03-26 4/200 2026-03-27 10:28 by guoweigw
[¿¼ÑÐ] Öйú¿ÆÑ§ÔºÉîÛÚÏȽø¼¼ÊõÑо¿Ôº-¹âÏË´«¸Ð¿ÎÌâ×éÕÐÉú-Öйú¿ÆÑ§Ôº´óѧ¡¢ÉîÛÚÀí¹¤´óѧÁªÅà +5 YangTyu1 2026-03-26 5/250 2026-03-26 18:27 by èßäèßäѽ
[¿¼ÑÐ] 334·Ö Ò»Ö¾Ô¸ÎäÀí ²ÄÁÏÇóµ÷¼Á +4 ÀîÀî²»·þÊä 2026-03-26 4/200 2026-03-26 16:00 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ¹¤´ó 081700 276Çóµ÷¼Á +4 µØÇòÈÆ×ÅÌ«Ñôת 2026-03-23 4/200 2026-03-26 14:27 by zzll406
[¿¼ÑÐ] 300·Ö£¬²ÄÁÏ£¬Çóµ÷¼Á£¬Ó¢Ò»Êý¶þ +5 ³¬ÔÞµÄ 2026-03-24 5/250 2026-03-24 21:07 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û