Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 572  |  »Ø¸´: 6
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß tsihu µÄ 4 ¸ö½ð±Ò

tsihu

¾èÖú¹ó±ö (СÓÐÃûÆø)

[½»Á÷] [ÇóÖú]ÈçºÎ´ÓÓÅ»¯ºÃµÄoutÎļþÖÐÌáÈ¡³öÈýάÊý¾Ý

½á¹¹ÒѾ­ÓÅ»¯ºÃÁË£¬ÔÚGaussview£¬Chem3D£¬molstudioÖж¼ÄÜÏÔʾÈýά¹¹ÐÍ£¬µ«ÊÇÔõô²ÅÄÜÌáÈ¡³ötxt¸ñʽµÄÈýά¿Õ¼äÊý¾Ý°¡¡£
»Ø¸´´ËÂ¥
ÎÒ˼¹ÊÎÒΪ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yuanqh_2006

гæ (³õÈëÎÄ̳)

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
¿´²»Ã÷°×£¬ÄãËù˵µÄÈýά½á¹¹Ö¸µÄ¿ÉÊÇ·Ö×ÓµÄ×ø±ê£¿Èç¹ûÊǵĻ°Ö»ÒªÔÚ.outÎļþÖÐÈ¡³öÊÕÁ²ºÃµÄ×ø±ê¼´¿É¡£×Ô¼ºÐ´³ÉtxtÎļþ¾ÍºÃÁË¡£
2Â¥2008-07-31 14:35:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tsihu

¾èÖú¹ó±ö (СÓÐÃûÆø)

¾ÍÊÇ·Ö×ӵĿռä×ø±ê£¬¿ÉÊÇÔÚoutÎļþµÄÄĸö²¿·Ö°¡¡£

ÊÇÔÚ×îºóµÄ GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

ÏÂÃæ½ô½Ó×ŵÄ
Coordinates (Angstroms)
X           Y           Z
ÏÂÃæÁгöÀ´µÄ×ø±êÂð

ÔõôÓÃÕâÐ©×ø±êÔÚoriginÀïÃæ»­³öÀ´µÄµã×é³ÉµÄ¹¹Ð͸úGviewÀï²»Ò»Ñù°¡¡£

²»ÄÜÓÃʲôÈí¼þÖ±½Ó¿ÉÒÔ´æÎªtxtÎļþÂð£¬ASCII¸ñʽµÄ¶¼Ðа¡¡£
ÎÒ˼¹ÊÎÒΪ
3Â¥2008-07-31 15:22:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

herosmzd

Òø³æ (ÕýʽдÊÖ)

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
¾ÍÊÇÄǸö
Coordinates (Angstroms)
X           Y           Z

.outÎļþÖ±½ÓÓüÇʱ¾´ò¿ª²»¾ÍÊÇÁË£¬»¹txt¸ÉÂð
4Â¥2008-08-01 09:25:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tsihu

¾èÖú¹ó±ö (СÓÐÃûÆø)

ȷʵÊÇoptimization completeºóÃæ½ô½ÓµÄÄǸöx£¬y£¬z×ø±êÂð£¬Ææ¹Ö£¬ÔõôÔÚoriginÀïÏÔʾ³öÀ´µÄÈýάͼ¸úÔÚGviewÖÐÏÔʾµÄ²»Ò»Ñù°¡¡£
outÊÇ¿ÉÒÔÓüÇʱ¾´ò¿ª£¬¿ÉÊÇorigin²»ÈÏoutÎļþ°¡£¬Ïë°ÑÓÅ»¯ºÃµÄÈýÎ¬×ø±êÔÚoriginÀïÏÔʾ³öÀ´¡£
ÓÐʲôºÃ·½·¨Âð¸÷λ¡£
ÎÒ˼¹ÊÎÒΪ
5Â¥2008-08-01 17:18:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jove1782

ľ³æ (ÕýʽдÊÖ)

Сľ³æ·çÑÅЭ»á´úÀíÃØÊ鳤

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
ÄãµÄoriginµÄ×ø±êºÍGaussian×ø±êÊÇÒ»¸öÌåϵô£¿²»ÊǵĻ°Òª×ª»»
¤â¤Ã¤È¤âÓÀ¤¯¾A¤¯?ۤϡ¢ˆó¤ï¤ì¤Ì?ۤǤ¢¤ë¡£
6Â¥2008-08-02 09:34:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fspdlh

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
tsihu(½ð±Ò+1,VIP+0):лл
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
¿ÉÒÔ½«×ø±êºÍÔ­×ÓÐòÊý´æ³ÉgjcÎļþ´ÓchemofficeÀï´ò¿ª£¬¾Í»áÏÔʾ·Ö×Ó¡£
ÔÚoutÎļþÖÐÑ¡ÔñijÁлòÕßij¼¸ÁÐÓÃeditplus±È½Ï·½±ã
7Â¥2008-08-02 20:05:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ tsihu µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬320Çóµ÷¼Á +10 À§À§À§À§À¤À¤ 2026-04-14 11/550 2026-04-15 12:45 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] 291Çóµ÷¼Á +5 ¹ØÒä±±. 2026-04-14 5/250 2026-04-15 09:30 by ÄæË®³Ë·ç
[¿¼ÑÐ] ÇóÖúµ÷¼Á£¬¿çµ÷ +18 XÊ®¸¦´çY 2026-04-11 19/950 2026-04-14 19:26 by Art1977
[¿¼ÑÐ] Çóµ÷¼Á +9 СÄô°®Ñ§Ï° 2026-04-11 13/650 2026-04-14 19:18 by Art1977
[¿¼ÑÐ] 26ҩѧר˶105500Çóµ÷¼Á +6 à¶¹þ¼ÓÓÍ 2026-04-13 6/300 2026-04-14 16:40 by zhouxiaoyu
[¿¼ÑÐ] 297£¬¹¤¿Æµ÷¼Á? +6 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-14 6/300 2026-04-14 16:04 by Art1977
[¿¼ÑÐ] 290Çóµ÷¼Á +21 luoziheng 2026-04-10 23/1150 2026-04-14 15:49 by zs92450
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +7 Ö½ÉÈzhishan 2026-04-13 7/350 2026-04-14 14:21 by jyl0317
[¿¼ÑÐ] 296Çóµ÷¼Á +14 Íô£¡£¿£¡ 2026-04-10 16/800 2026-04-12 10:48 by zhouyuwinner
[¿¼ÑÐ] 326Çóµ÷¼Á +6 Shansyn 2026-04-10 6/300 2026-04-12 09:46 by hammer3
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤300Çóµ÷¼Á +39 Ф¿ªÎÄ 2026-04-09 43/2150 2026-04-12 01:30 by Çï¶¹²ËÑ¿
[¿¼ÑÐ] 299Çóµ÷¼Á +8 ZVVZ13 2026-04-08 8/400 2026-04-12 00:40 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 267Çóµ÷¼Á +8 ÔÙæҲҪ³Ô·¹°¡ 2026-04-09 8/400 2026-04-11 21:42 by cfdbai
[¿¼ÑÐ] 296Çóµ÷¼Á +14 Íô£¡£¿£¡ 2026-04-08 15/750 2026-04-11 20:28 by dongdian1
[¿¼ÑÐ] 283Çóµ÷¼Á£¬¹¤¿Æ£¡ +12 ËÕ´òË®7777 2026-04-08 12/600 2026-04-11 10:28 by ÄæË®³Ë·ç
[¿¼ÑÐ] Ò»Ö¾Ô¸¾©Çø985£¬085401£¬Óë±¾¿Æ×¨ÒµÒ»Ö£¬µç×ÓÐÅÏ¢¹¤³Ì£¬ +4 Ñô¹â¿ªÀʵÄÄк¢ 2026-04-10 4/200 2026-04-10 18:27 by shenrf
[¿¼ÑÐ] 282£¬µçÆø¹¤³Ìרҵ£¬Çóµ÷¼Á£¬²»Ìôרҵ +9 jggshjkkm 2026-04-10 9/450 2026-04-10 14:55 by ÄæË®³Ë·ç
[¿¼²©] ²©Ê¿×Ô¼ö +7 ¿É¿ÉСÅÖ 2026-04-08 7/350 2026-04-10 08:28 by kimhero
[¿¼ÑÐ] 332£¬085601Çóµ÷¼Á +12 ydfyh 2026-04-09 14/700 2026-04-09 17:28 by wp06
[¿¼ÑÐ] Èí¼þ¹¤³ÌÇóµ÷¼Á22Èí¹¤296·ÖÇóµ÷¼Á£¬½ÓÊÜ¿çµ÷ +4 yangchen2017 2026-04-08 5/250 2026-04-08 21:56 by ÍÁľ˶ʿÕÐÉú
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û