±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1744  |  »Ø¸´: 8

sofia7821

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] Çâ¼üÔõôÉèÖà ÒÑÓÐ4È˲ÎÓë

²ËÄñÓиöÎÊÌâÇë½Ì
ÓÃB3LYP/6-31G£¨d,p) ¼ÆËãʱºò£¬Çâ¼üÓ¦¸ÃÔõôÉèÖÃ?
¶àл£¡
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chinapuzhen

Í­³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Ê×ÏÈÃ÷ȷһϣ¬ÏñÇâ¼üÕâÖÖÈõÏ໥×÷Óã¬ÓÃb3lyp·½·¨ºÏÊÊô£¿

·¢×ÔСľ³æAndroid¿Í»§¶Ë
2Â¥2016-03-02 07:18:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

²»È¡Ë×Ãû

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
½¨ÒéÓÃmo6ϵÁеķºº¯»á¸üºÃ

·¢×ÔСľ³æAndroid¿Í»§¶Ë
3Â¥2016-03-02 10:22:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zdm5821

гæ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Á¿×Ó»¯Ñ§ºÃ¾ÍÒµ²»

[ ·¢×ÔÊÖ»ú°æ http://muchong.com/3g ]
4Â¥2016-03-02 11:12:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yongleli

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
½¨ÒéÄãºÃºÃÕÒSobrevaµÄÌû×Ó¿´¿´¡£

Ãܶȷºº¯ÀíÂÛÖУ¬ÏÖÓеķºº¯¶¼¹ýÓÚ¾ÖÓò»¯£¬ÎÞ·¨´¦ÀíÖÐÔ¶¾àÀëµÄÏ໥×÷Óá£Ä¿Ç°ÓÐÁ½´óÀà˼·£¬Ò»ÀàÊÇÓðüº¬É«É¢Ï໥×÷ÓõÄÊý¾ÝÀ´¶Ô·ºº¯½øÐÐÄâºÏ£¬±ÈÈçÎÒ¹ú¸´µ©´óѧÐíê¿ÀÏʦ¿ª·¢µÄX3LYPºÍÃÀ¹úÃ÷ÄáËÕ´ï´óѧÕÔYan¿ª·¢µÄM06ϵÁУ»ÁíÒ»ÀàÔÚÒÑÓеķºº¯»ù´¡ÉÏÔö¼ÓɫɢÐÞÕý£¬±ÈÈçB3LYP-D3¡£Çë×Ô¼º²éÔÄÎÄÏ×ѡȡºÏÊʵķºº¯¡£ÓÃDFT¼ÆËãÇâ¼üÏ໥×÷Ó㬻ù×鱨Ðë¼ÓÃÖÉ¢£¬Ò²¾ÍÊÇ+ºÅ¡£
5Â¥2016-03-03 12:20:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sofia7821

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by yongleli at 2016-03-03 12:20:21
½¨ÒéÄãºÃºÃÕÒSobrevaµÄÌû×Ó¿´¿´¡£

Ãܶȷºº¯ÀíÂÛÖУ¬ÏÖÓеķºº¯¶¼¹ýÓÚ¾ÖÓò»¯£¬ÎÞ·¨´¦ÀíÖÐÔ¶¾àÀëµÄÏ໥×÷Óá£Ä¿Ç°ÓÐÁ½´óÀà˼·£¬Ò»ÀàÊÇÓðüº¬É«É¢Ï໥×÷ÓõÄÊý¾ÝÀ´¶Ô·ºº¯½øÐÐÄâºÏ£¬±ÈÈçÎÒ¹ú¸´µ©´óѧÐíê¿ÀÏʦ¿ª·¢µÄ ...

лл
²»ÖªÓÐÎÞ¾­Ñé ÎÒ¼ÓÃÖÉ¢ºóµÄcheckpoint ÎļþÖ±½Ó¸ß˹´ò²»¿ª£¿

·¢×ÔСľ³æIOS¿Í»§¶Ë
6Â¥2016-03-03 15:41:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yongleli

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
6Â¥: Originally posted by sofia7821 at 2016-03-03 15:41:04
лл
²»ÖªÓÐÎÞ¾­Ñé ÎÒ¼ÓÃÖÉ¢ºóµÄcheckpoint ÎļþÖ±½Ó¸ß˹´ò²»¿ª£¿
...

´ò²»¿ªÓ¦¸ÃÊÇÄã°ÑÎļþ·ÅÔÚÁ˰üº¬ÖÐÎÄÃûµÄ·¾¶ÏÂÁ˰ɡ£
»òÕßûÓÐÕý³£½áÊø¡£
7Â¥2016-03-03 17:16:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sofia7821

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
7Â¥: Originally posted by yongleli at 2016-03-03 17:16:06
´ò²»¿ªÓ¦¸ÃÊÇÄã°ÑÎļþ·ÅÔÚÁ˰üº¬ÖÐÎÄÃûµÄ·¾¶ÏÂÁ˰ɡ£
»òÕßûÓÐÕý³£½áÊø¡£...

ÊÇµÄ Ã»ÓÐÕý³£½áÊø ¿ÉÊÇÎÒÊÔÁËÁ½»Ø ¶¼·ÇÕý³£½áÊø £¿ÓÐÎÞ¾­Ñ飿

·¢×ÔСľ³æIOS¿Í»§¶Ë
8Â¥2016-03-03 20:07:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yongleli

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
8Â¥: Originally posted by sofia7821 at 2016-03-03 20:07:23
ÊÇµÄ Ã»ÓÐÕý³£½áÊø ¿ÉÊÇÎÒÊÔÁËÁ½»Ø ¶¼·ÇÕý³£½áÊø £¿ÓÐÎÞ¾­Ñ飿
...

Õâ¾Í²»Çå³þÁË¡£ÐèÒªÕÒÄãÉí±ßµÄÊìÈ˸ø¿´¿´¡£
9Â¥2016-03-04 12:55:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ sofia7821 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á Ò»Ö¾Ô¸¹þ¹¤´ó×Ü·Ö298·Ö£¬Ç°Èý¿Æ223·Ö +5 dongfang59 2026-03-27 5/250 2026-03-28 04:53 by wxiongid
[¿¼ÑÐ] 328Çóµ÷¼Á +7 àŵεĻù±¾¶¼ 2026-03-27 7/350 2026-03-28 04:19 by fmesaito
[¿¼ÑÐ] Çóµ÷¼ÁÍÆ¼ö ²ÄÁÏ 304 +15 ºÉ°üµ°hyj 2026-03-26 15/750 2026-03-28 04:13 by fmesaito
[¿¼ÑÐ] 322Çóµ÷¼Á +4 ¾É… 2026-03-24 4/200 2026-03-27 15:38 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 274Çóµ÷¼Á +17 ¹Ë¾ÅóÏҪǫÐé 2026-03-24 23/1150 2026-03-27 15:16 by caszguilin
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á£¬Ò»Ö¾Ô¸ÄÏÅ©083200ʳƷ¿ÆÑ§Ó빤³Ì +5 XQTJZ 2026-03-26 5/250 2026-03-27 14:49 by ¿ñìÅÂóµ±µ±
[¿¼ÑÐ] ¿¼Ñе÷¼Á +10 ºôºô£¿~+123456 2026-03-24 10/500 2026-03-27 11:46 by wangjy2002
[¿¼ÑÐ] µ÷¼ÁÍÆ¼ö +5 Ç徯714 2026-03-26 6/300 2026-03-27 11:12 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 349Çóµ÷¼Á +5 ½Ü˹ËþÀï˹ 2026-03-21 5/250 2026-03-27 00:31 by wxiongid
[¿¼ÑÐ] µ÷¼ÁÇóÊÕÁô +7 ¹ûÈ»ÓÐÎÒ 2026-03-26 7/350 2026-03-27 00:26 by wxiongid
[¿¼ÑÐ] 289Çóµ÷¼Á +17 ˶ÐǸ° 2026-03-23 17/850 2026-03-26 16:18 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©Óʵç´óѧ 288·Ö ²ÄÁÏ¿¼ÑÐ Çóµ÷¼Á +3 jl0720 2026-03-26 3/150 2026-03-26 13:39 by zzll406
[¿¼ÑÐ] ¿¼Ñе÷¼Á +6 À´ºÃÔËÀ´À´À´ 2026-03-21 7/350 2026-03-25 22:43 by 418490947
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½ 335·Ö | 0856²ÄÁÏ»¯¹¤ | GPA 4.07 | ÓпÆÑо­Àú +6 cccchenso 2026-03-23 6/300 2026-03-25 22:25 by 544594351
[¿¼ÑÐ] 302Çóµ÷¼Á +4 ½õÒÂÎÀÌÙ½· 2026-03-25 4/200 2026-03-25 16:29 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +6 yzysaa 2026-03-21 6/300 2026-03-25 09:27 by aa331100
[¿¼ÑÐ] ʳƷר˶ һ־Ը˫һÁ÷ 328 +3 xiaom99 2026-03-21 4/200 2026-03-24 21:20 by lailaisimei
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çóµ¼Ê¦ÊÕ +7 ÌìÌìºÃÔËÀ´Éϰ¶° 2026-03-24 7/350 2026-03-24 20:26 by peike
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ±±¹¤Òµ´óѧ0817»¯¹¤278·ÖÇóµ÷¼Á +7 jhybd 2026-03-23 12/600 2026-03-24 09:03 by jhybd
[¿¼ÑÐ] 336»¯¹¤µ÷¼Á +4 Íõ´ó̹1 2026-03-23 5/250 2026-03-23 18:32 by allen-yin
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û