北大04暑期学校杨忠志.pptVIP

static dielectric constant ABEEM-7P ABEEM-7P Expt. 273K 83 87.9 298K 76 78.4 310K 73 74.2 348K 63 62.6 TIP4P-FQ TIP5P 273K 97 92 298K 79 82 310K 78 68 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. heat of vaporization ABEEM-7P ABEEM-7P Expt. 273K 11.13 10.76 298K 10.85 10.51 310K 10.64 10.39 348K 9.84 9.69 TIP4P-FQ TIP5P 273K 11.15 11.04 298K 10.48 10.46 310K 10.25 10.21 348K 9.52 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. radial distribution function by ABEEM-7P Yang Wu, Zhong-Zhi Yang, J. Phys. Chem. A. (in press) Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. III. 4 N-甲基乙酰胺与水分子体系的研究 (NMA-H2O) NMA分子具有蛋白质多肽骨架的基本结构，NMA-H2O 分子体系的研究为深入讨论生物大分子溶液体系提供了 一定的基础。 cis-NMA trans-NMA Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. potential function for NMA-H2O NMA-H2O Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. the function of Klp,H(Rlp,H) ~ Rlp,H N-H···O (H2O) C=O···H (H2O) Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. parameters for NMA-H2O ?* 2?* C D H(C-) 2.072 2.689 1.602 C(H-) 2.507 9.529 5.046 H(N-) 2.284 1.546 1.004 O(C=) 3.179 6.699 8.697 2.186 C(O=) 2.742 6.272 3.276 N 2.850 0.687 2.596 lpO= 2.897 1.86