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Illusionist
Òø³æ (ÕýʽдÊÖ)
- Ó¦Öú: 20 (СѧÉú)
- ½ð±Ò: 232.8
- É¢½ð: 1001
- ºì»¨: 15
- Ìû×Ó: 431
- ÔÚÏß: 329.1Сʱ
- ³æºÅ: 1123329
- ×¢²á: 2010-10-15
- רҵ: °ëµ¼Ìå¾§ÌåÓ뱡Ĥ²ÄÁÏ
Illusionist: »ØÌûÖö¥ 2011-12-04 14:04:30
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================================= Model : PCM. Atomic radii : UFF (Universal Force Field). Polarization charges : Total charges. Charge compensation : None. Solution method : Matrix inversion. Cavity type : Scaled VdW (van der Waals Surface) (Alpha=1.100). Cavity algorithm : GePol (No added spheres) Default sphere list used, NSphG= 56. Lebedev-Laikov grids with approx. 5.0 points / Ang**2. Smoothing algorithm: Karplus/York (Gamma=1.0000). Polarization charges: spherical gaussians, with point-specific exponents (IZeta= 3). Self-potential: point-specific (ISelfS= 7). Self-field : sphere-specific E.n sum rule (ISelfD= 2). 1st derivatives : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3). Cavity 1st derivative terms included. Solvent : n,n-DiMethylFormamide, Eps= 37.219000 Eps(inf)= 2.046330 |
4Â¥2011-12-04 11:53:15
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- ×¢²á: 2010-05-04
- ÐÔ±ð: GG
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2Â¥2011-12-04 09:12:09
Illusionist
Òø³æ (ÕýʽдÊÖ)
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3Â¥2011-12-04 10:52:20
Jasminer
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5Â¥2011-12-04 12:48:07













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