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songyunlong
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 18 (СѧÉú)
- ½ð±Ò: 1060
- É¢½ð: 100
- ºì»¨: 4
- Ìû×Ó: 236
- ÔÚÏß: 190Сʱ
- ³æºÅ: 41868
- ×¢²á: 2004-03-08
- ÐÔ±ð: GG
- רҵ: Ò©Îﻯѧ

2Â¥2013-01-15 00:05:29
Leliel
ͳæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 305.5
- Ìû×Ó: 22
- ÔÚÏß: 14Сʱ
- ³æºÅ: 1406136
- ×¢²á: 2011-09-18
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

3Â¥2013-01-15 14:09:47
songyunlong
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 18 (СѧÉú)
- ½ð±Ò: 1060
- É¢½ð: 100
- ºì»¨: 4
- Ìû×Ó: 236
- ÔÚÏß: 190Сʱ
- ³æºÅ: 41868
- ×¢²á: 2004-03-08
- ÐÔ±ð: GG
- רҵ: Ò©Îﻯѧ

4Â¥2013-01-15 14:52:02
dumbgirl
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 129.9
- É¢½ð: 665
- ºì»¨: 5
- Ìû×Ó: 125
- ÔÚÏß: 453.1Сʱ
- ³æºÅ: 1346965
- ×¢²á: 2011-07-15
- ÐÔ±ð: GG
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
5Â¥2013-01-15 22:01:13
xjyuefan
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 5130.7
- É¢½ð: 100
- ºì»¨: 1
- Ìû×Ó: 462
- ÔÚÏß: 238.7Сʱ
- ³æºÅ: 338536
- ×¢²á: 2007-04-04
- ÐÔ±ð: GG
- רҵ: Åäλ»¯Ñ§
6Â¥2013-01-16 09:48:26
Leliel
ͳæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 305.5
- Ìû×Ó: 22
- ÔÚÏß: 14Сʱ
- ³æºÅ: 1406136
- ×¢²á: 2011-09-18
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

7Â¥2013-01-17 23:58:22
yongleli
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 93 (³õÖÐÉú)
- ½ð±Ò: 3769.1
- É¢½ð: 369
- ºì»¨: 24
- Ìû×Ó: 764
- ÔÚÏß: 101.3Сʱ
- ³æºÅ: 303595
- ×¢²á: 2006-12-03
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
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This method is very poor. Nothing about the solvation model. Please take a look at the program Jaguar in Schrodinger. There is a superior method to calculate pKa shift. |
8Â¥2013-01-18 03:37:08
Leliel
ͳæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 305.5
- Ìû×Ó: 22
- ÔÚÏß: 14Сʱ
- ³æºÅ: 1406136
- ×¢²á: 2011-09-18
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

9Â¥2013-01-19 18:22:23
xjyuefan
Ìú¸Ëľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 5130.7
- É¢½ð: 100
- ºì»¨: 1
- Ìû×Ó: 462
- ÔÚÏß: 238.7Сʱ
- ³æºÅ: 338536
- ×¢²á: 2007-04-04
- ÐÔ±ð: GG
- רҵ: Åäλ»¯Ñ§
10Â¥2013-01-21 19:34:43














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