²é¿´: 920  |  »Ø¸´: 5

lastzealot

гæ (ÖøÃûдÊÖ)

¡¾ÂÒÊÀµÄ¼éÐÛ¡¿

[ÇóÖú] ÇëÎÊfreqĬÈϼÆËãµÄÊÇ298KϵÄÈÈÁ¦Ñ§²ÎÊýÂð£¿

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

dong5391

½ð³æ (ÖøÃûдÊÖ)

½­ºþÉ¢ÏÉ

ÎÒ˼¹ÊÎÒÔÚ
2Â¥2016-03-31 20:44:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lastzealot

гæ (ÖøÃûдÊÖ)

¡¾ÂÒÊÀµÄ¼éÐÛ¡¿

ÒýÓûØÌû:
2Â¥: Originally posted by dong5391 at 2016-03-31 20:44:39
ÎÒ¶¼ÊÇÖ±½Ó½ÃÕýµÄ

ÄÜ˵µÄÔÙÏêϸдÂð£¿
Zero-point correction=                           0.183287 (Hartree/Particle)
Thermal correction to Energy=                    0.207059
Thermal correction to Enthalpy=                  0.208004
Thermal correction to Gibbs Free Energy=         0.126853
Sum of electronic and zero-point Energies=          -2336.619389
Sum of electronic and thermal Energies=             -2336.595617
Sum of electronic and thermal Enthalpies=           -2336.594673
Sum of electronic and thermal Free Energies=        -2336.675823

Õâ¸öÊÇÎÒ¼ÆËãfreqºóµÃµ½µÄÈÈÁ¦Ñ§²ÎÊý¡£Äú˵µÄÖ±½Ó½ÃÕýµÄÊDz»ÊÇÖ¸
Sum of electronic and zero-point Energies=          -2336.619389
Sum of electronic and thermal Energies=             -2336.595617
Sum of electronic and thermal Enthalpies=           -2336.594673
Sum of electronic and thermal Free Energies=        -2336.675823
ÕâЩѽ£¿
ÕâЩÊÇ0KÏµĻ¹ÊÇ298KϵÄѽ£¿
Âé·³ÄúÁË¡£
3Â¥2016-03-31 23:50:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
lastzealot(zhou2009´ú·¢): ½ð±Ò+10 2016-04-01 20:27:49
ÊÇ£¬Ä¬ÈÏζÈ298K
4Â¥2016-04-01 06:48:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lastzealot

гæ (ÖøÃûдÊÖ)

¡¾ÂÒÊÀµÄ¼éÐÛ¡¿

ÒýÓûØÌû:
4Â¥: Originally posted by ǹÏÂÓλê at 2016-04-01 06:48:02
ÊÇ£¬Ä¬ÈÏζÈ298K

ллǹÉñ
5Â¥2016-04-01 09:29:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by lastzealot at 2016-04-01 09:29:48
ллǹÉñ

ÉñÊÇsob£¬ÎÒÖ»ÊÇÒ»½éѧÉú
6Â¥2016-04-01 09:33:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lastzealot µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0856Çóµ÷¼Á +5 zhn03 2026-03-25 6/300 2026-03-25 22:58 by peike
[¿¼ÑÐ] 332Çóµ÷¼Á +6 032500 2026-03-25 6/300 2026-03-25 22:45 by 418490947
[¿¼ÑÐ] »¯Ñ§¹¤³Ì085602 305·ÖÇóµ÷¼Á +9 RichLi_ 2026-03-25 9/450 2026-03-25 22:21 by 418490947
[¿¼ÑÐ] 334·Ö Ò»Ö¾Ô¸ÎäÀí-080500 ²ÄÁÏÇóµ÷¼Á +4 ÀîÀî²»·þÊä 2026-03-25 4/200 2026-03-25 21:26 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 081700 µ÷¼Á 267·Ö +10 ÃÔÈ˵Ĺþ¹þ 2026-03-23 10/500 2026-03-25 12:12 by userper
[¿¼ÑÐ] 303Çóµ÷¼Á +6 ԪϦԪ 2026-03-20 7/350 2026-03-25 12:00 by edmund7
[¿¼ÑÐ] ²ÄÁÏѧ˶£¬Çóµ÷¼Á 6+4 ÌǺù«888ll 2026-03-22 9/450 2026-03-25 11:19 by greychen00
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +9 A-¶ßÀ²ZÃÎ 2026-03-23 15/750 2026-03-25 11:18 by Ainin_
[¿¼ÑÐ] 318Çóµ÷¼Á +3 plumÀî×Ó 2026-03-23 3/150 2026-03-25 09:42 by ÎíÉ¢ºóÏàÓölc
[¿¼ÑÐ] 07»¯Ñ§280·ÖÇóµ÷¼Á +7 722865 2026-03-23 7/350 2026-03-25 09:29 by aa331100
[¿¼ÑÐ] 289²ÄÁÏÓ뻯¹¤£¨085600£©BÇøÇóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-22 5/250 2026-03-25 08:20 by mx.yue
[¿¼ÑÐ] ²ÄÁÏѧÇóµ÷¼Á +6 Stella_Yao 2026-03-20 6/300 2026-03-25 00:37 by baoball
[¿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¸±±»¯315 Çóµ÷¼Á +3 akrrain 2026-03-24 3/150 2026-03-24 19:35 by ÁËÁËÁËÁË¡£¡£
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[¿¼ÑÐ] 298Çóµ÷¼ÁÒ»Ö¾Ô¸211 +3 Éϰ¶6666@ 2026-03-20 3/150 2026-03-22 15:50 by ColorlessPI
[¿¼ÑÐ] ³õÊÔ 317 +7 °ëÀ­Ô±û 2026-03-20 7/350 2026-03-21 22:26 by peike
[¿¼ÑÐ] 296Çóµ÷¼Á +4 www_q 2026-03-20 4/200 2026-03-21 17:26 by ѧԱ8dgXkO
[¿¼ÑÐ] 336Çóµ÷¼Á +5 rmc8866 2026-03-21 5/250 2026-03-21 17:24 by ѧԱ8dgXkO
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ·ï»ËÔº¶¡Õæ 2026-03-20 3/150 2026-03-21 10:27 by luoyongfeng
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û