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楼主  发表于: 2009-12-26 18:30

 化合物物性结构查询

化合物物性结构查询

化学专家-物性
富勒烯科学模块(富勒烯化学知识介绍)

ChemFinder服务-物性
物质性质网络型数据库

化学快查-物性
sigma-aldrich手册

化学飞速-物性
分子模型库

Chemidplus-物性
化学分子模型 (分子三维结构显示图集)

有机化学数据库-物性
800个分子3D结构显示库 (Data Book of Molecules)

银河-物性
无机分子3D结构及物性参数库 (France)

NIMC-物性
chembank-harvard

物质结构
Akron大学的MSDS及有害化合物数据库

溶剂数据库SOLV-DB
中国化工网的在线化工字典

Data Book of Molecules
Molecular Data Book was developed for educational purposes. Most of the molecules, except for polymers and salts (e.g. sodium acetate), were energy-optimized with MM2 or PM3 method.
物性数据
该数据库是浏览型数据库,含有470多种纯组分的物性数据,如分子量、冰点、沸点、临界温度、临界压力、临界体积、临界压缩、无中心参数、液体密度、偶极矩、气相热容、液相热容、液体粘度、反应标准热、蒸气压、蒸发热等。

Pilkington试剂库
Finding Physical and Chemical Properties

物性查询TOXNET
Database of physical properties of organic compounds and technical gases and their mixtures

Reciprocal Net物质结构
Chapman & Hall/CRC Properties of Organic Compounds

SDBS
Indiana University Molecular Structure Center

有机化学物数据库
牛津大学物性、化合物安全数据表

NIST
非共价键化合物数据库

matweb
三维结构数据库NCI-3D

MSDS-物性
PDB 蛋白質分子的立體結構資料庫

The Chapman &Hall/CRC Combined Chemical Dictionary
It is a structured database holding information on chemical substances. It includes descriptive and numerical data on chemical, physical and biological properties of compounds; systematic and common names of compounds; literature references; structure diagrams and their associated connection tables. The Combined Chemical Dictionary online version contains all those records published in:
Dictionary of Organic Compounds
Dictionary of Natural Products
Dictionary of Inorganic and Organometallic Compounds
Dictionary of Drugs
Dictionary of ytical Reagents

Thermo Explorer (TE)
The TE is comprised of a database created from open literature data which gives you handy access to properties from more than 600 chemical compounds of interest. TE is interactive, and behaves like a dedicated chemical engineering calculator.
Properties of Organic Compounds
containing over 29,000 of the most commonly sought organic compounds, featuring physical data, spectral data, and structures. With a high quality display and powerful search capabilities, it acts as an easy-to-use tool for identifying unknown compounds or for locating additional data and references for a known compound.





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