| 查看: 240 | 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
生物医学材料前沿科普：低密度、高孔隙率的“多孔微球”核心技术与应用全景
已经有1人回复
-
湖南工业大学周贵寅组招生物医学工程（学硕07、08都行）、生物与医药（专硕08）硕士生
已经有0人回复
-
有机高分子材料论文润色/翻译怎么收费?
已经有185人回复
-
湖南工业大学周贵寅组招生物医学工程（学硕07、08都行）和生物与医药（专硕08）硕士生
已经有0人回复
-
考研求调剂
已经有0人回复
-
2026年中南民族大学化学与材料科学学院调剂公告
已经有40人回复
-
武汉纺织大学招生物材料、化学、高分子相关专业硕士生
已经有0人回复
-
武汉纺织大学招生物材料、化学、高分子相关专业硕士生-另有少量士兵计划可咨询
已经有0人回复
-
[武汉纺织大学]材料学院[姜伟团队名称]课题组-2026年硕士研究生调剂信息
已经有0人回复
-
中国科学院·过程工程研究所·招聘海内外高层次人才---过程所“百人计划”
已经有0人回复
-
中国科学院·过程工程研究所·招聘海内外高层次人才---过程所“百人计划”
已经有2人回复
2楼2007-08-25 14:57:18
