±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1759  |  »Ø¸´: 2

xian123321

Òø³æ (СÓÐÃûÆø)

[ÇóÖú] ¸ß˹»ìºÏ»ù×éÊäÈë ÒÑÓÐ2È˲ÎÓë

¾ÍÊǶÔÓÚ»ù×é6-31+G**ÔÚ¸ß˹09˵Ã÷ÊéÖеÄÓ¦ÓÃÔ­×ÓÊÇH-Cl£¬Èç¹ûÎÒÒªËãÒ»¸öº¬ÓÐBr-Àë×ӵĽṹʽ£¬£¬Îļþµ±ÖÐÓÐN+ÊDz»ÊDz»ÄÜÓÃÕâ¸ö»ù×éËãÄØ£¿´òËãÓÃB3LYPËã
ÓÐÒ»²¿·ÖËã¶ÔÁË£¬µ«ÓÐÒ»²¿·ÖËã´íÁË¡£
ÊDz»ÊÇÓ¦¸ÃÓûìºÏ»ù×éÊäÈë°¡£¬ÄÇÊäÈëÎļþÓ¦¸ÃÔõÃ´Ð´ÄØ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Éú»îºÜ¾«²Ê£¬×Ô¼ºÈ¥Å¬Á¦¡£
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

²Ü±´Caobei

гæ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Äã¿ÉÒÔÓÃ6-311G**Ëãѽ£¬Ò²¿ÉÒÔÓûìºÏ»ù×éËã
ÃüÁîΪ# b3lyp/genecp ....ºóÃæ¼ÓÉϹؼü´Ê£¬ÔÚ·Ö×Ó˵Ã÷²¿·Ö¼ÓÄãÒªµÄ»ù×飬¸ñʽÈçÏ£º
C H 0
6-31G**
****
Br 0
dgdzvp
****
»ù×é×Ô¼ºÈÎÑ¡
2Â¥2014-12-08 21:41:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xieruobing

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+2, ¸ÐлӦÖú 2014-12-11 04:21:11
ÎÒÊÇÓûìºÏ»ù×鼯ËãµÄ£¬
ÃüÁîΪ# b3lyp/genecp nosymn noraman£¬ÔÚ·Ö×Ó˵Ã÷²¿·Ö¼ÓÄãÒªµÄ»ù×飬¸ñʽÈçÏ£º
C H 0
6-31G**
****
Br 0
Ð޸ĵĹìµÀÐÅÏ¢
****
Br 0
lanl2dz
»ù×é×Ô¼ºÈÎÑ¡
3Â¥2014-12-10 18:27:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xian123321 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 275Çóµ÷¼Á +10 Micky11223 2026-03-25 12/600 2026-03-27 09:41 by caszguilin
[¿¼ÑÐ] ²ÄÁÏ292µ÷¼Á +9 éÙËÌ˼ÃÀÈË 2026-03-23 9/450 2026-03-27 08:16 by hypershenger
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +3 ´Þwj 2026-03-26 3/150 2026-03-27 07:58 by chemisry
[¿¼ÑÐ] 348Çóµ÷¼Á +3 СÀÁ³æ²»ÀÁÁË 2026-03-27 3/150 2026-03-27 04:30 by wxiongid
[¿¼ÑÐ] ¿¼Ñе÷¼Á +9 ºôºô£¿~+123456 2026-03-24 9/450 2026-03-27 03:47 by wxiongid
[¿¼ÑÐ] 304²ÄÁÏÇóµ÷¼Á +4 ÖÓllll 2026-03-26 4/200 2026-03-27 03:42 by wxiongid
[¿¼ÑÐ] ²ÄÁϵ÷¼Á 5+4 ÏëÒªÒ»ºøÌÒ»¨Ë® 2026-03-25 10/500 2026-03-26 19:56 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +3 LiÀîÓã 2026-03-26 3/150 2026-03-26 18:32 by Ìá³ö·½·¨µÄÌá³öº
[¿¼ÑÐ] ¿¼Ñе÷¼Á +8 СÀ¯ÐÂ±Ê 2026-03-26 8/400 2026-03-26 16:18 by dick_runner
[¿¼ÑÐ] ÉúÎï¼¼ÊõÓ빤³Ì +3 1294608413 2026-03-25 4/200 2026-03-25 18:02 by 1294608413
[¿¼ÑÐ] 0854È˹¤ÖÇÄÜ·½ÏòÕÐÊÕµ÷¼Á +4 ÕÂСÓã567 2026-03-24 4/200 2026-03-25 13:29 by 2177681040
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +6 yzysaa 2026-03-21 6/300 2026-03-25 09:27 by aa331100
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí085500»úеרҵ×Ü·Ö300Çóµ÷¼Á +3 an10101 2026-03-24 7/350 2026-03-25 00:00 by ɽ¹í0-
[¿¼ÑÐ] 070300»¯Ñ§Çóµ÷¼Á +9 Ô·¶¹¶¹ 2026-03-20 9/450 2026-03-24 17:15 by licg0208
[¿¼ÑÐ] Çóµ÷¼Á +6 ÑÐÑУ¬½Óµç»° 2026-03-24 7/350 2026-03-24 17:01 by barlinike
[¿¼ÑÐ] 298Çóµ÷¼Á +8 Éϰ¶6666@ 2026-03-20 8/400 2026-03-23 11:02 by laoshidan
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] Ò»Ö¾Ô¸Éî´ó£¬0703»¯Ñ§£¬×Ü·Ö302£¬Çóµ÷¼Á +4 ÆßÔÂ-ÆßÆß 2026-03-21 4/200 2026-03-21 18:20 by ѧԱ8dgXkO
[¿¼ÑÐ] 0703»¯Ñ§297Çóµ÷¼Á +3 Daisy¡î 2026-03-20 3/150 2026-03-21 17:45 by ColorlessPI
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304Çó BÇø µ÷¼Á +3 Çñgl 2026-03-21 3/150 2026-03-21 13:47 by lature00
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û