24小时热门版块排行榜

>论坛更新日志 (4561)
>虫友互识 (325)
>论文投稿 (249)
>文献求助 (229)
>学术会议 (195)
>导师招生 (179)
>博后之家 (144)
>休闲灌水 (131)
>考博 (65)
>硕博家园 (61)
>教师之家 (50)
>攻关文献(高奖励) (43)
>考研 (42)
>基金申请 (38)
>找工作 (28)
>功能材料 (26)

返回列表

【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。

skyflyzw

铁杆木虫 (职业作家)

应助: 0 (幼儿园)
金币: 8581.5
帖子: 3603
在线: 2.9小时
虫号: 137617

[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