| 查看: 235 | 回复: 1 | ||
| 【奖励】 本帖被评价1次，作者学员2bQ2PZ增加金币 1 个 | ||
| 当前主题已经存档。 | ||
[资源]
OSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design
|
||
|
OSMO-RS: From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design Author(s): Andreas Klamt * Publisher: Elsevier Science * Number Of Pages: 246 * Publication Date: 2005-10-28 * Sales Rank: 1207388 * ISBN / ASIN: 0444519947 * EAN: 9780444519948 * Binding: Hardcover * Manufacturer: Elsevier Science * Studio: Elsevier Science * Average Rating: * Total Reviews: Book Description: The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. Readers can study many of the examples given using the accompanying demonstration CD of the COSMOtherm program, which also contains the DFT/COSMO files of common chemicals and the compounds described in the book. * The only book currently available on COSMO-RS technique * Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics * Includes illustrative examples and accompanying CD of the COSMOtherm program http://rapidshare.com/files/51108564/cosmo-rs_andreas_klamt_elsevier_2005.zip http://mihd.net/hpn94z [ Last edited by skyflyzw on 2007-8-25 at 12:27 ] |
回复此楼» 猜你喜欢
可生物降解聚酯正在重塑现代医疗器械
已经有0人回复
-
26届博士申请
已经有4人回复
-
有机高分子材料论文润色/翻译怎么收费?
已经有156人回复
-
PLLA 微球在生物医学领域的研究与应用
已经有1人回复
-
PLLA 微球的材料特性与制备工艺解析
已经有0人回复
-
医用聚己内酯（PCL）全解析：从两段式降解到组织工程应用
已经有0人回复
-
反相硅胶如何再生？
已经有1人回复
-
哈尔滨理工大学2026年研究生调剂，材料科学与化学工程学院研究生调剂
已经有3人回复
-
武汉一本高校招收材料、化学、高分子、纺织、生物相关专业硕士生
已经有0人回复
2楼2007-08-25 14:57:18
