24СʱÈÈÃŰæ¿éÅÅÐаñ    

Znn3bq.jpeg
²é¿´: 1034  |  »Ø¸´: 4

zhengpc3505

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóB3LYP/6-311+G(D,P)µÄÁãµãÄÜУÕýÒò×Ó

ÇóB3LYP/6-311+G(D,P)µÄÁãµãÄÜУÕýÒò×Ó
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zhficcas

Òø³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ƵÂÊ·ÖÎö¼´¿ÉµÃµ½ZPE
2Â¥2011-08-12 12:31:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ybyygu

Ìú¸Ëľ³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
gmy1990(½ð±Ò+2): 2011-08-12 13:30:24
zhengpc3505(½ð±Ò+2): 2011-08-12 15:38:00
0.9877, ÎÒÒ»°ãÒýÕâÆªÎÄÏ×:
(1) Andersson, M. P.; Uvdal, P. J. Phys. Chem. A 2005, 109, 2937-2941.
3Â¥2011-08-12 13:22:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhengpc3505

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by zhficcas at 2011-08-12 12:31:22:
ƵÂÊ·ÖÎö¼´¿ÉµÃµ½ZPE

ÒªµÄÊÇZPEµÄÐÞÕýÒò×Ó
4Â¥2011-08-12 14:50:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

604758762

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

Ëãcp¿ÉÒԵİÉ
5Â¥2011-08-25 21:17:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ zhengpc3505 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÀà284µ÷¼Á +32 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 37/1850 2026-04-09 23:20 by parmtree
[¿¼ÑÐ] 305Çóµ÷¼Á +4 77Qi 2026-04-07 4/200 2026-04-09 17:27 by wp06
[¿¼ÑÐ] Çóµ÷¼Á +7 chenxrlkx 2026-04-05 9/450 2026-04-09 09:04 by wj165256
[¿¼ÑÐ] 286Çóµ÷¼Á +19 Faune 2026-04-08 20/1000 2026-04-09 08:36 by ŶŶ123
[¿¼ÑÐ] 285Çóµ÷¼Á +12 AZMK 2026-04-05 18/900 2026-04-08 20:43 by ÄæË®³Ë·ç
[¿¼ÑÐ] 315Çóµ÷¼Á +17 ÐÀϲ777 2026-04-04 18/900 2026-04-08 13:54 by hangsimei
[¿¼ÑÐ] ¼ÆËã»ú408£üÔÚУ¶à´Î¹ú¼Ò¼¶¾ºÈü»ñ½±£üÉêÇëµ÷¼Á +4 ¶«É½´ó°×¶ì 2026-04-05 4/200 2026-04-08 00:18 by chongya
[¿¼ÑÐ] 081700£¬311£¬Çóµ÷¼Á +17 ¶¬Ê®Èý 2026-04-04 18/900 2026-04-07 12:50 by Sammy2
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á Ò»Ö¾Ô¸°²»Õ´óѧ085601 +12 zyxÉϰ¶£¡ 2026-04-04 12/600 2026-04-07 02:09 by BruceLiu320
[¿¼ÑÐ] 277¹¤¿ÆÇóµ÷¼Á +10 1915668 2026-04-04 11/550 2026-04-06 23:53 by ÐÄæÂÒâ±±
[¿¼ÑÐ] 26×ÔÈ»µØÀíѧ303·ÖÇóµ÷¼Á +4 Ò»Õ½³É˶°¡°¡°¡° 2026-04-06 9/450 2026-04-06 20:35 by lin-da
[¿¼ÑÐ] µ÷¼Á Ò»Ö¾Ô¸¼ªÁÖ´óѧ357·Ö +5 .Starry. 2026-04-04 5/250 2026-04-06 09:28 by cql1109
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +10 ¹þ¹þ¹þºðºðºð¹þ 2026-04-04 10/500 2026-04-05 21:22 by ѧԱ8dgXkO
[¿¼ÑÐ] µ÷¼Á +3 Àî¹ã»ð 2026-04-05 3/150 2026-04-05 18:57 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] 313Çóµ÷¼Á +3 º£ÈÕº£ÈÕ 2026-04-04 3/150 2026-04-05 07:48 by 544594351
[¿¼ÑÐ] 387Çóµ÷¼Á +4 °®³ÔƬ¶¹ÍÁ 2026-04-03 5/250 2026-04-04 08:10 by °¶ÉϵÄÒ»ÌõÓã
[¿¼ÑÐ] ±¾¿Æ985£¬×¨Òµ0812·Ö336Çóµ÷¼Á +4 ĪĪºÜÐÐ 2026-04-03 4/200 2026-04-03 21:31 by zhq0425
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +5 ´Þwj 2026-04-03 5/250 2026-04-03 15:06 by arrow8852
[¿¼ÑÐ] µ÷¼Á +7 ìíáº. 2026-04-02 7/350 2026-04-03 09:11 by »¨ß»¹Ç·600
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û