Znn3bq.jpeg
²é¿´: 2465  |  »Ø¸´: 1

cathychenyi

гæ (³õÈëÎÄ̳)

[ÇóÖú] gaussian09ÔõÑùÖ¸¶¨ÈܼÁ£¬²¢¼ÆËãÈܼÁ»¯ÄÜ

ÎÒÊǸß˹³õѧÕߣ¬¸ÒÎʸ÷λ´óϺ£¬gaussian09ÔõÑùÖ¸¶¨ÈܼÁ£¬²¢¼ÆËãÈܼÁ»¯ÄÜ¡£
ÎÒ³¢ÊÔÔËÐеÄÈÎÎñÖжÏÁË£¬ÏÔʾ´íÎó£º No derivatives with DBF background charges.
ÕâÊÇÎÒʹÓõĴúÂ룬²»ÖªµÀÄÄÀïÓÐÎÊÌ⣬ÇëÖ¸½Ì£¬Ð»Ð»ÁË£¡
%chk=csyxz.chk
%mem=6MW
%nproc=1
# opt freq b3lyp/6-311g(d) scrf=(scipcm,solvent=n-hexane)
geom=connectivity

Title Card Required
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

lishijunzong

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÏÈдsolvent=read È»ºóÎļþµÄ×îºóÃæÐ´ÉÏÈܼÁµÄ½éµç³£Êý
2Â¥2013-03-10 20:02:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ cathychenyi µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 295·ÖÇóµ÷¼Á +4 ?ÒªÉϰ¶? 2026-04-17 4/200 2026-04-17 16:46 by wutongshun
[¿¼ÑÐ] 322Çóµ÷¼Á +6 tekuzu 2026-04-17 6/300 2026-04-17 13:48 by Espannnnnol
[¿¼ÑÐ] 335Çóµ÷¼Á +20 ÏëÉϰ¶Ñ½£¡£¡ 2026-04-12 23/1150 2026-04-17 10:50 by cuisz
[¿¼ÑÐ] 22ר˶Çóµ÷¼Á +10 haoyunÉϰ¶ 2026-04-11 12/600 2026-04-16 22:21 by Öí»á·É
[¿¼ÑÐ] ²ÄÁÏÏà¹Ø×¨Òµ344Çóµ÷¼ÁË«·Ç¹¤¿ÆÑ§Ð£»ò¿ÎÌâ×é +23 hualkop 2026-04-12 25/1250 2026-04-16 22:12 by SUSE_CL
[¿¼ÑÐ] 294Çóµ÷¼Á +14 µ­È»654321 2026-04-15 14/700 2026-04-16 21:01 by lpl364211
[¿¼ÑÐ] 291Çóµ÷¼Á +11 ¹ØÒä±±. 2026-04-14 11/550 2026-04-16 15:18 by jiahl2024
[¿¼ÑÐ] Çóµ÷¼ÁÍÆ¼ö +8 СÄô°®Ñ§Ï° 2026-04-14 8/400 2026-04-16 07:22 by ѧԱJpLReM
[¿¼ÑÐ] Çóµ÷¼ÁѧУ +14 ²»»á³ÔÈâ 2026-04-13 16/800 2026-04-15 21:59 by noqvsozv
[¿¼ÑÐ] 297£¬¹¤¿Æµ÷¼Á? +10 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-14 10/500 2026-04-15 21:50 by noqvsozv
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +9 Ö½ÉÈzhishan 2026-04-13 9/450 2026-04-15 18:28 by ANÁ÷800
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +7 Â꿨°Í¿¨boom 2026-04-11 7/350 2026-04-15 13:21 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +21 »ý¼«ÏòÉÏ£» 2026-04-10 23/1150 2026-04-15 12:50 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] ¸÷λÀÏʦºÃ£¬Çóµ÷¼Á£¬±¾¿Æ211£¬Ò»Ö¾Ô¸Ìì½ò´óѧÉúÎïÓëҽҩѧ˶£¬²îÁ½Ãû¼ȡ¡£ +11 ·ÁùÁùjjj 2026-04-13 11/550 2026-04-14 16:01 by zs92450
[¿¼ÑÐ] 366Çóµ÷¼Á +11 ²»ÖªÃûµÄСئ 2026-04-11 11/550 2026-04-14 15:50 by zs92450
[¿¼ÑÐ] Çóµ÷¼Á +12 ºÎÆøÕý 2026-04-13 13/650 2026-04-14 14:47 by zs92450
[¿¼ÑÐ] ¿¼Ñе÷¼Á +13 ³¤¹­°Á 2026-04-13 14/700 2026-04-14 14:44 by zs92450
[¿¼ÑÐ] 105500ҩѧÇóµ÷¼Á +4 x_skys 2026-04-12 4/200 2026-04-14 13:37 by rndfc
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] 290Çóµ÷¼Á +18 ¿Â»´È» 2026-04-12 20/1000 2026-04-13 12:56 by cyh¡ª315
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û