²é¿´: 1090  |  »Ø¸´: 1

qchem

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


[ÇóÖú] ÇëÎÊmolproÓÃplotÃüÁîÉú³ÉµÄ.plotÎļþÒªÓÃʲôÈí¼þ°ÑËü»­³Éͼ ÒÑÓÐ1È˲ÎÓë

molproÉú³ÉµÄ.plotÎļþ£¬Ôõô»­³Éͼѽ

ÎļþÄÚÈÝÀàËÆ£º

@ title "SS-SR-CASPT2 for LiF"
@ xaxis label "R"
@ legend on
@ s00 legend "E1_CASPT2"
@ s00 symbol   1
@ s00 symbol color   1
@ s00 symbol fill pattern   1
@ s00 symbol size   0.6
@ s00 symbol fill color   1
@ s00 line color   1
@ s00 avalue color   1
@ s00 errorbar color   1
@ s00 legend "E1_CASPT2"
@ target G0.S00
@ type xy
   3.00000000000000       -107.145828892364     
   4.00000000000000       -107.092585032466     
   5.00000000000000       -107.053644613572     
   6.00000000000000       -107.048280424047     
   7.00000000000000       -107.047905824654
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

kuba2333

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
qchem: ½ð±Ò+10, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, ÊÔ¹ýÁË£¬ºÃʹ 2016-07-24 11:42:07
ÓÃXMGRACE¿ÉÒÔ»­Í¼
2Â¥2016-07-20 19:07:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ qchem µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏÓ뻯¹¤303·ÖÇóµ÷¼Á +4 Ϊѧ666 2026-03-24 4/200 2026-03-25 11:27 by BruceLiu320
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +6 Æ¥¿Ëi 2026-03-23 6/300 2026-03-24 21:09 by greychen00
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼ÁÉú +3 »ÆÁ»Ò»ÃÎǧÄê 2026-03-24 3/150 2026-03-24 17:00 by barlinike
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϺ½²ÄÁÏר317·ÖÇóµ÷¼Á +5 ըѽըѽըÊíÌõ 2026-03-23 5/250 2026-03-24 16:52 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó»¯Ñ§322Çóµ÷¼Á +4 17501029541 2026-03-23 6/300 2026-03-24 10:21 by ´÷Χ²±µÄСÎÃ×Ó
[¿¼ÑÐ] 344Çóµ÷¼Á +3 desto 2026-03-24 3/150 2026-03-24 10:09 by ²«»÷518
[¿¼ÑÐ] 276Çóµ÷¼Á¡£ÓаëÄêµç³ØºÍ°ëÄê¸ß·Ö×Óʵϰ¾­Àú +9 ²ÄÁÏѧ257Çóµ÷¼Á 2026-03-23 10/500 2026-03-24 07:36 by wangy0907
[¿¼ÑÐ] 341Çóµ÷¼Á(Ò»Ö¾Ô¸ºþÄÏ´óѧ070300) +5 ·¬ÇÑÍ·--- 2026-03-22 6/300 2026-03-23 23:45 by Txy@872106
[¿¼ÑÐ] 335·Ö | ²ÄÁÏÓ뻯¹¤×¨Ë¶ | GPA 4.07 | ÓпÆÑо­Àú +4 cccchenso 2026-03-23 4/200 2026-03-23 23:00 by Ðìckkk
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí²ÄÁϹ¤³Ì348Çóµ÷¼Á +6 £þ^£þ©bº¹ 2026-03-19 9/450 2026-03-23 19:53 by pswait
[¿¼ÑÐ] 291 Çóµ÷¼Á +4 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 5/250 2026-03-23 16:46 by »¯¹¤2026½ì±ÏÒµÉ
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +5 @taotao 2026-03-21 5/250 2026-03-21 20:55 by lbsjt
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304ÇóBÇøµ÷¼Á +3 Çñgl 2026-03-20 7/350 2026-03-21 19:05 by 15709483992
[¿¼ÑÐ] Çóµ÷¼Á +4 ÒªºÃºÃÎÞÁÄ 2026-03-21 4/200 2026-03-21 18:57 by ѧԱ8dgXkO
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ºìÒÂÒþ¹Ù 2026-03-21 5/250 2026-03-21 14:59 by lature00
[¿¼ÑÐ] Çóµ÷¼Á +3 °×QF 2026-03-21 3/150 2026-03-21 13:12 by zhukairuo
[¿¼ÑÐ] 330Çóµ÷¼Á0854 +3 assdll 2026-03-21 3/150 2026-03-21 13:01 by ²«»÷518
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +5 sbdksD 2026-03-19 5/250 2026-03-20 22:10 by luoyongfeng
[¿¼ÑÐ] 329Çóµ÷¼Á +9 ÏëÉÏѧ߹߹ 2026-03-19 9/450 2026-03-20 22:01 by luoyongfeng
[¿¼ÑÐ] 0856µ÷¼Á£¬ÊÇѧУ¾ÍÈ¥ +8 sllhht 2026-03-19 9/450 2026-03-20 14:25 by ÎÞи¿É»÷111
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û