²é¿´: 1398  |  »Ø¸´: 8
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

lyxiaomi

Ìú³æ (³õÈëÎÄ̳)

[ÇóÖú] ¼ÈÓл¯Ñ§ÊµÑéÓÖÓÐconputational workµÄÎÄÕÂÓ¦¸ÃͶʲôÔÓÖ¾±È½ÏºÃÄØ£¿

ÎÒÕâÒ»ÄêÖ÷ÒªÊÇÑо¿ÁËÒ»¸ö»¹Î´±»Ñо¿µÄºÜ³ä·ÖµÄÎïÖʵÄһЩÐÔÖÊ£¬±ÈÈçpKa,Èܽâ¶ÈµÈ.ʵÑé¹ý³ÌÖмÈÓõ½ÁË»¯Ñ§ÊµÑ飬±ÈÈçÓÃUV'VISµÎ¶¨À´²âÎïÖʵÄpKa,ÓÖÓõ½Á˼ÆË㻯ѧcomputational chemistry£¬±ÈÈçͨ¹ýfree energy changeµÄ²îÀ´¼ÆËãpKa.±ðµÄһЩʵÑé½á¹û£¬±ÈÈçsolubility£¬Ò²ÓÐͨ¹ýcomputational work×ö¼ÆËãÀ´½øÐÐһЩ½âÊ͵ġ£ÏÖÔÚÀϰåÈÃÎÒдƪÎÄÕ£¬µ«¹ØÓÚ·¢µ½ÄÄÀïÎҾͺÜÓôÃÆÁË¡£¡£¡£computational workÒ»°ã¶¼ÊÇ·¢µ½physical chemistry·½ÃæµÄÔÓ־ȥ£¬½ÌÎÒcomputational chemistryµÄÀÏʦҲ¸øÎÒÍÆ¼öÁ˼¸¸öÔÓÖ¾£¬µ«ÊÇÎÒ²éºó·¢ÏÖËüÃǵÄÓ°ÏìÒò×Ó¶¼ºÃµÍ¡£¡£¡£ ÎÒ¸öÈ˾õµÃÏÖÈç½ñcomputational chemistry×÷ΪһÃÅ»¯Ñ§·Ö¿Æ£¬ºÜ¶àʱºò¿ÉÒÔ×÷Ϊ»¯Ñ§ÊµÑéÑо¿µÄ¸¨Öú£¬×öµ½¶ÔʵÑé½á¹ûµÄ½õÉÏÌí»¨£¬ËùÒÔÎÒ¾õµÃÆäʵҲ²»Ò»¶¨ÒòÎªÉæ¼°ÁËcomputation¾ÍÖ»ÄÜÍùphys chemÉÏͶ°É¡£¡£¡£ÀÏʵ˵ÎÒÆ½Ê±¿´paper±È½ÏÉÙ¡£¡£¡£Ò»Ê±Ò²Ïë²»ÆðÓÐÕâÖÖÎÄÕµÄÀý×Ó£¬ËùÒÔÏëÎÊÎÊ´ó¼Ò£¬ÓÐûÓÐʲôjournal¿ÉÒÔ½ÓÊÜÕâÖÖ¶ÔÎïÖʵÄһЩÎïÀí»¯Ñ§ÐÔÖʵÄÑо¿£¬ÊµÑ鹤×÷ºÍ¼ÆË㹤×÷¶¼ÓеÄarticleÄØ£¿Ð»Ð»´ó¼ÒÁË£¡£¨ÒòΪÎÒÏàÐÅÊÇÓе쬵«ÊÇÕâô´óµÄ·¶Î§ÒªÈ¥ÕÒ»¹ÕæÒ»ÏÂ×Ó²»Öª´ÓºÎÈëÊÖÁË¡£¡£¡£ËùÒÔÏë½èÖú´ó¼Ò¹ã·ºµÄ¼ûʶÀ´ÕÒµ½Ò»Ð©²»´íµÄ~~£©
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

×÷ΪһֻºÜÈõµÄº£¹ê£¬¼èÄѵÄÔÚ´óÑó±Ë°¶µÄ»¯Ñ§ÊÀ½çÀïÂýÂýµÄÅÀ×Å¡£¡£¡£T_T
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

marineman

ÖÁ×ðľ³æ (ÖªÃû×÷¼Ò)

°®°ËØÔ°®Éú»î

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
lyxiaomi: ½ð±Ò+6, ¡ïÓаïÖú 2013-11-23 20:32:12
journal of chemical engineering dataÊʺÏÄãÂð£¿ËûÃÇÖ÷ÒªÊÇʵÑéÊý¾Ý£¬¼ÆËãµÄÒ²¿ÉÒԵġ£Ó°ÏìÒò×ÓÔÚ2×óÓÒ¡£
3Â¥2013-11-12 12:24:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

ÉÜÃô¿¤Ö÷

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
lyxiaomi: ½ð±Ò+6, ¡ïÓаïÖú 2013-11-23 20:32:01
»ù±¾ÉÏËùÓеĻ¯Ñ§ÔÓÖ¾¶¼ÓС°ÊµÑé+ÀíÂÛ¡±µÄÂÛÎÄ¡£
¹Ø¼ü»¹ÊÇ¿´ÄãµÄÂÛÎÄÄÚÈÝ´´ÐÂÓжà´ó£¬¶¨ÁËÔÓÖ¾µÄµµ´Î£¬²ÅÄÜÑ¡Ôñ¾ßÌåµÄÔÓÖ¾¡£
2Â¥2013-11-12 12:05:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lyxiaomi

Ìú³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by ÉÜÃô¿¤Ö÷ at 2013-11-12 12:05:48
»ù±¾ÉÏËùÓеĻ¯Ñ§ÔÓÖ¾¶¼ÓС°ÊµÑé+ÀíÂÛ¡±µÄÂÛÎÄ¡£
¹Ø¼ü»¹ÊÇ¿´ÄãµÄÂÛÎÄÄÚÈÝ´´ÐÂÓжà´ó£¬¶¨ÁËÔÓÖ¾µÄµµ´Î£¬²ÅÄÜÑ¡Ôñ¾ßÌåµÄÔÓÖ¾¡£

ллÄúµÄ»Ø¸´~£¡ÄÇÔõôÄܹ»±È½Ï׼ȷµÄ¶¨ÏÂÔÓÖ¾µÄµµ´ÎÄØ£¿¿É²»¿ÉÒÔÔÙ˵¾ßÌåÐ©ÄØ£¿Ð»Ð»Äú~£¡
×÷ΪһֻºÜÈõµÄº£¹ê£¬¼èÄѵÄÔÚ´óÑó±Ë°¶µÄ»¯Ñ§ÊÀ½çÀïÂýÂýµÄÅÀ×Å¡£¡£¡£T_T
4Â¥2013-11-14 07:35:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lyxiaomi

Ìú³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
3Â¥: Originally posted by marineman at 2013-11-12 12:24:22
journal of chemical engineering dataÊʺÏÄãÂð£¿ËûÃÇÖ÷ÒªÊÇʵÑéÊý¾Ý£¬¼ÆËãµÄÒ²¿ÉÒԵġ£Ó°ÏìÒò×ÓÔÚ2×óÓÒ¡£

Ó¦¸Ã²»Êʺϵİɣ¬ÎҵIJ¢²»ÊÇengineering·½ÃæµÄ£¬»¹ÊÇ±È½ÏÆ«ÀíÂ۵ġ£²»¹ý»¹ÊÇллÄã°¡£¡
×÷ΪһֻºÜÈõµÄº£¹ê£¬¼èÄѵÄÔÚ´óÑó±Ë°¶µÄ»¯Ñ§ÊÀ½çÀïÂýÂýµÄÅÀ×Å¡£¡£¡£T_T
5Â¥2013-11-14 07:36:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[˶²©¼ÒÔ°] ºþ±±¹¤Òµ´óѧ ÉúÃü¿ÆÑ§Ó뽡¿µÑ§Ôº-¿ÎÌâ×éÕÐÊÕ2026¼¶Ê³Æ·/ÉúÎï·½Ïò˶ʿ +3 1ϲ´º8 2026-03-17 5/250 2026-03-17 17:18 by ber´¨cool×Ó
[¿¼ÑÐ] 341Çóµ÷¼Á +5 µ·µ°ÖíÖí 2026-03-11 6/300 2026-03-17 17:16 by ruiyingmiao
[¿¼ÑÐ] 312Çóµ÷¼Á +4 İå·Ï£ 2026-03-16 5/250 2026-03-17 17:09 by ruiyingmiao
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +6 ´ó»ðɽС»ðɽ 2026-03-16 8/400 2026-03-17 15:05 by ÎÞи¿É»÷111
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] ²ÄÁÏר˶274Ò»Ö¾Ô¸ÉÂÎ÷ʦ·¶´óѧÇóµ÷¼Á +5 Ñ¦ÔÆÅô 2026-03-13 5/250 2026-03-17 10:15 by Sammy2
[¿¼ÑÐ] Ò»Ö¾Ô¸985£¬±¾¿Æ211£¬0817»¯Ñ§¹¤³ÌÓë¼¼Êõ319Çóµ÷¼Á +5 Liwangman 2026-03-15 5/250 2026-03-16 17:10 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-14 3/150 2026-03-16 16:39 by houyaoxu
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 ºôºô£¿~+123456 2026-03-14 3/150 2026-03-14 16:53 by WTUChen
[¿¼ÑÐ] 332Çóµ÷¼Á +3 zjy101327 2026-03-11 6/300 2026-03-13 22:48 by JourneyLucky
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +9 ßäßä¿Õ¿Õ 2026-03-12 9/450 2026-03-13 22:05 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Çó²ÄÁϵ÷¼Á 085600Ó¢Ò»Êý¶þ×Ü·Ö302 ǰÈý¿Æ235 ¾«Í¨»úÆ÷ѧϰ Ò»Ö¾Ô¸¹þ¹¤´ó +4 ÁÖyaxin 2026-03-12 4/200 2026-03-13 22:04 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 311Çóµ÷¼Á +3 ¶¬Ê®Èý 2026-03-13 3/150 2026-03-13 20:41 by JourneyLucky
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +7 Â̶¹ÇÛ²ËÌÀ 2026-03-12 7/350 2026-03-13 17:25 by njzyff
[¿¼ÑÐ] 295Çóµ÷¼Á +3 Сذ×ÐÖ­ 2026-03-12 3/150 2026-03-13 15:17 by vgtyfty
[¿¼ÑÐ] ÍÁľµÚÒ»Ö¾Ô¸276Çóµ÷¼Á£¬¿ÆÑкͼ¼ÄÜÊ®·Ö·á¸»£¬ÇóÐÂÐË·½ÏòµÄµ¼Ê¦ÊÕÁô +3 ÍÁľСÌì²Å 2026-03-12 3/150 2026-03-13 15:01 by JourneyLucky
[ÂÛÎÄͶ¸å] Ͷ¸åÎÊÌâ 5+4 Ðǹâ²ÓÀÃxt 2026-03-12 6/300 2026-03-13 14:17 by god_tian
[¿¼ÑÐ] 277Çóµ÷¼Á +4 anchor17 2026-03-12 4/200 2026-03-13 11:15 by °×Ò¹ÓÆ³¤
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û