±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2347  |  »Ø¸´: 8

furoc

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóÖúgaussian¼ÆËãµÄECDÈçºÎ×÷ͼ

ÐÂÊÖÇóÖú£º
¸ÕÓÃgaussian09¼ÆËãÁËÒ»¸ö»¯ºÏÎïµÄECDµÃµ½Á˲¨³¤ºÍÏàÓ¦µÄRotatory Strengths£¬ÏÖÔÚ¿àÄÕ²»Öª¸ÃÈçºÎÓÃorigin×÷ͼ¡£»¹Çë¸ßÊÖÖ¸µã¡£²»Ê¤¸Ð¼¤£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
zhou2009(½ð±Ò+5): 2011-12-16 09:16:28
furoc(½ð±Ò+5): 2011-12-16 09:41:54
ÏÈÓÃrotatory strength×öÕý̬·Ö²¼Õ¹¿í£¬µÃµ½ÄâºÏµÄÁ¬ÐøÇúÏߣ¬È»ºóÓÃorigin×÷ͼ¼´¿É
Õ¹¿í¹«Ê½¿ÉÒÔ¿´ÕâÆªÎÄÕÂJ Phys Chem A,2011,115,13811,Computational DetailsÕâ¸ö²¿·ÖÖеÄElectronic Absorption SpectrumÖеĹ«Ê½£¬¹«Ê½ÖеÄfIµÄȡֵ»»³ÉECD¼ÆËãÖеÄrotatory strength¼´¿É£¨Ô­Ïȹ«Ê½ÖеÄfIÊÇ×ÏÍâ-¿É¼ûԾǨ¼ÆËãÖеÄoscillator strength£©
ÆäʵswizardÕâ¸öÈí¼þ×öµÃͦºÃ£¬¾ÍÊÇÖ»ÄÜ×ö×ÏÍâ-¿É¼ûԾǨ¹âÆ×Õ¹¿í£¬²»ÄÜ×öECD¹âÆ×Õ¹¿í¡£Äã¾ÍίÇüÒ»ÏÂ×Ô¼ºÐ´³ÌÐò×öÕ¹¿í°É¡£
2Â¥2011-12-16 08:32:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

furoc

ľ³æ (СÓÐÃûÆø)

°æÖ÷£¬ÓÉÓÚÎÒ²»ÊǼÆËãרҵµÄ£¬¶ÔÕý̬·Ö²¼Õ¹¿í»¹ÊDz»Ì«Ã÷°×£¬¹«Ê½µÄ¼ÆËãÊÇÐèҪʲôÈí¼þÀ´×öÄØ£¿»¹ÍûÖ¸µã¡£
3Â¥2011-12-16 10:54:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

furoc

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Â¥: Originally posted by yjcmwgk at 2011-12-16 08:32:15:
ÏÈÓÃrotatory strength×öÕý̬·Ö²¼Õ¹¿í£¬µÃµ½ÄâºÏµÄÁ¬ÐøÇúÏߣ¬È»ºóÓÃorigin×÷ͼ¼´¿É
Õ¹¿í¹«Ê½¿ÉÒÔ¿´ÕâÆªÎÄÕÂJ Phys Chem A,2011,115,13811,Computational DetailsÕâ¸ö²¿·ÖÖеÄElectronic Absorption SpectrumÖÐµÄ ...

°æÖ÷£¬ÓÉÓÚÎÒ²»ÊǼÆËãרҵµÄ£¬¶ÔÕý̬·Ö²¼Õ¹¿í»¹ÊDz»Ì«Ã÷°×£¬¹«Ê½µÄ¼ÆËãÊÇÐèҪʲôÈí¼þÀ´×öÄØ£¿»¹ÍûÖ¸µã¡£
4Â¥2011-12-16 10:54:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

ÒýÓûØÌû:
4Â¥: Originally posted by furoc at 2011-12-16 10:54:34:
°æÖ÷£¬ÓÉÓÚÎÒ²»ÊǼÆËãרҵµÄ£¬¶ÔÕý̬·Ö²¼Õ¹¿í»¹ÊDz»Ì«Ã÷°×£¬¹«Ê½µÄ¼ÆËãÊÇÐèҪʲôÈí¼þÀ´×öÄØ£¿»¹ÍûÖ¸µã¡£

ÄǾÍËæÒâÕÒÒ»¸ö¼ÆËãרҵµÄÈË °ïÄãд¸öС³ÌÐòß ÕâÈÝÒ׵úÜÉõÖÁ²»ÐèÒªÀíÂÛ¼ÆË㻯ѧרҵ£¬Ö»ÒªÊÇ¸ã¼ÆËã»úµÄ¶¼ÐÐ »áд³ÌÐòµÄ¾ÍÐÐ
5Â¥2011-12-16 12:40:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

furoc

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Â¥: Originally posted by yjcmwgk at 2011-12-16 12:40:54:
ÄǾÍËæÒâÕÒÒ»¸ö¼ÆËãרҵµÄÈË °ïÄãд¸öС³ÌÐòß ÕâÈÝÒ׵úÜÉõÖÁ²»ÐèÒªÀíÂÛ¼ÆË㻯ѧרҵ£¬Ö»ÒªÊÇ¸ã¼ÆËã»úµÄ¶¼ÐÐ »áд³ÌÐòµÄ¾ÍÐÐ

°¦¡£ÎÒ¶Ô³ÌÐòÕÒ¸ö¶«Î÷ÊÇÒ»Çϲ»Í¨°¡£¬»¹ÓÐÒ»¸öÎÊÌâ¾ÍÊÇ£¬ÎÄÏ×¹«Ê½ÖЦشú±íʲôÒâ˼°¡£¿
6Â¥2011-12-16 13:48:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï ¡ï ¡ï
zhou2009(½ð±Ò+3): 2011-12-16 19:54:30
ÒýÓûØÌû:
6Â¥: Originally posted by furoc at 2011-12-16 13:48:54:
°¦¡£ÎÒ¶Ô³ÌÐòÕÒ¸ö¶«Î÷ÊÇÒ»Çϲ»Í¨°¡£¬»¹ÓÐÒ»¸öÎÊÌâ¾ÍÊÇ£¬ÎÄÏ×¹«Ê½ÖЦشú±íʲôÒâ˼°¡£¿

°¦£¬ËãÁË£¬ÎÒµÄÓÊÏäqdd-china@foxmail.com
Äã°ÑʵÑéÊýÖµºÍ¼ÆËã½á¹ûÊä³öÎļþ·¢¸øÎÒ°É¡£ÎÒÌæÄã´¦ÀíÏÂËãÁË¡­¡­·´ÕýÎÒ½²½â£¬ÄãÌýµÃÒ²·Ñ¾¢£»ÄãÕÒÈË£¬¹À¼ÆÕÒÈËÒ²·Ñ¾¢
7Â¥2011-12-16 14:07:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

furoc

ľ³æ (СÓÐÃûÆø)


°æÖ÷£¬ÄúºÃ£¡Êý¾ÝÒÑ·¢ÄúÓÊÏ䣬ÁíÍ⣬ÎÒ»¹ÓÐÒ»¸öÎÊÌ⣬ÎÒÔÚһƪÎÄÏ×ÉÏ¿´µ½ÈçͼµÄÒ»¸ö¹«Ê½£¬µ«ÊDz»ÖªµÀ¹«Ê½ÀïµÄEºÍ¦ÒÊÇÔõôµÃµ½µÄ£¬»¹ÇëÖ¸½Ì¡£
8Â¥2011-12-16 16:02:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

furoc

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Â¥: Originally posted by yjcmwgk at 2011-12-16 14:07:58:
°¦£¬ËãÁË£¬ÎÒµÄÓÊÏäqdd-china@foxmail.com
Äã°ÑʵÑéÊýÖµºÍ¼ÆËã½á¹ûÊä³öÎļþ·¢¸øÎÒ°É¡£ÎÒÌæÄã´¦ÀíÏÂËãÁË¡­¡­·´ÕýÎÒ½²½â£¬ÄãÌýµÃÒ²·Ñ¾¢£»ÄãÕÒÈË£¬¹À¼ÆÕÒÈËÒ²·Ñ¾¢

·Ç³£¸Ðл¡£
9Â¥2011-12-16 16:03:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ furoc µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á Ò»Ö¾Ô¸°²»Õ´óѧ085601 +8 zyxÉϰ¶£¡ 2026-04-04 8/400 2026-04-05 23:08 by lbsjt
[¿¼ÑÐ] 285Çóµ÷¼Á +4 ¶ñ·¨´ó¶þµÄÆøÎ¶ß 2026-04-05 5/250 2026-04-05 20:32 by 286640313
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÖÕ²»ËÆ´Óǰ 2026-04-05 3/150 2026-04-05 20:07 by à£à£à£0119
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 asdasdassda 2026-04-05 3/150 2026-04-05 17:26 by zhousanduo
[¿¼ÑÐ] 313Çóµ÷¼Á +5 º£ÈÕº£ÈÕ 2026-04-04 7/350 2026-04-05 13:58 by imissbao
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] µ÷¼Á +11 JLLLLLLLLLL 2026-04-03 11/550 2026-04-04 22:21 by hemengdong
[¿¼ÑÐ] »·¾³¿ÆÑ§Ó빤³Ì334·ÖÇóµ÷¼Á +9 ÍõÒ»Ò»ÒÀÒÀ 2026-03-30 12/600 2026-04-04 20:55 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á +6 Ë·Ë·»° 2026-04-02 7/350 2026-04-04 19:16 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +6 ·¶¸ùÅà 2026-04-04 6/300 2026-04-04 14:27 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 400·ÖÇóµ÷¼Á +3 ÞÏÞÎÇÒÄÓÍ· 2026-04-04 3/150 2026-04-04 08:41 by jp9609
[¿¼ÑÐ] 387Çóµ÷¼Á +4 °®³ÔƬ¶¹ÍÁ 2026-04-03 5/250 2026-04-04 08:10 by °¶ÉϵÄÒ»ÌõÓã
[¿¼ÑÐ] һ־Ը˫·Ç085502£¬267·Ö£¬¹ýËļ¶Çóµ÷¼Á +3 ÔÙæҲҪ³Ô·¹°¡ 2026-04-03 3/150 2026-04-04 05:03 by gswylq
[¿¼ÑÐ] ÎåÒØ´óѧÍÁľ¹¤³ÌÕе÷¼ÁÉú2026 +3 wyutj 2026-03-31 4/200 2026-04-03 18:21 by zengxj_7201
[¿¼ÑÐ] 289-Çóµ÷¼Á +4 ÕâÀïÊÇ_ 2026-04-03 4/200 2026-04-03 14:23 by 1753564080
[¿¼ÑÐ] 286Çóµ÷¼Á +7 Faune 2026-03-30 7/350 2026-04-03 10:14 by linyelide
[¿¼ÑÐ] Çóµ÷¼ÁÍÆ¼ö +3 ÄÏɽÄÏ@ 2026-04-01 3/150 2026-04-02 12:09 by xiaoranmu
[¿¼ÑÐ] »¯Ñ§¹¤³Ìר˶324·Ö£¬Ò»Ö¾Ô¸Öйú¿óÒµ´óѧÇóµ÷¼Á +7 ¹¢¹¢1314 2026-04-01 7/350 2026-04-02 07:40 by ÉÐË®¸óÖ÷
[¿¼ÑÐ] 262Çóµ÷¼Á +9 ÀøÖ¾Ò»¶¨·¢ÎÄÕ 2026-03-31 10/500 2026-04-01 12:22 by sunshine0013
[¿¼ÑÐ] һ־ԸʳƷ¿ÆÑ§Ó빤³Ì083200Çóµ÷¼Á +4 XQTJZ 2026-03-30 4/200 2026-03-31 04:10 by fmesaito
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û