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Materials Database

NIST Chemistry WebBook
The November 1998 release of The NIST WebBook is the fifth edition of the NIST Chemistry WebBook.
WebElements
WebElements is the first periodic table on the WWW.
NIMS Materials Database
The PAULING FILE project is a collaboration between Japan Science and Technology Corporation (JST) and Material Phases Data System (MPDS).
Database of Published Interatomic Parameters
Database of Published Interatomic Parameters is a Potentials Database for Simulating Solids, a Potentials Library for elements, required in various computational packages like GULP, MARVIN
DataGuide Online:ChemSage
DataGuide Online enables you to both browse databases:SGTE Pure Substance Database ,SGTE Solution Database ,ChemSage Mini-Database ,Application specific data-file collection ,Aqueous Fe-Cr-Ni-C-S database
IUPAC-NIST Solubility Database
This is a database containing solubilities originally published in the IUPAC (International Union for Pure and Applied Chemistry).
Knovel K-Essentials - Knovel
K-Essentials includes free access to the following titles
Landolt-Bornstein Online
Landolt-Bornstein Numerical Data and Functional Relationships in Science and Technology
LiqCryst Online
LiqCryst is the database of thermotropic liquid crystals.
PoLyInfo
PoLyInfo provides a wide variety of data required in polymeric material design. Chemical structures of polymers, various names including IUPAC based name, properties of each sample with measurement conditions and processing method and so on are stored in the database.
NIST (NIST Data Gateway )
The NIST Data Gateway provides easy access to NIST scientific and technical data.
PHYSPROP
This on-line interactive demo retrieves data from PhysProp database of 25,000 compounds.
Science and Engneering Library
Finding Physical and Chemical Properties Online
FACT
thermochemical databases and software packages in pyrometallurgy, hydrometallurgy, chemical engineering, geology, electrochemistry and process simulation for pure substances and non-ideal solutions of gases, alloys, ceramics, salts, mattes, slags, minerals, aqueous, etc.
Index to Physical, Chemical and Other Property Data
This page is an index to selected library and internet resources that contain chemical, physical, thermodynamic, mechanical, toxicological, and safety data.
Kelvin, Dalton, Angstrom , JST
This is an experimental distribution of Japan Science and Technology Corporation.
Chemical & Physical Property Information Resource
Chemical & Physical Property Information Resources
CAMPUSPLASTICS
CAMPUS is a material information system for the plastics industry.
CATH Protein Structure Classification
CATH is a novel hierarchical classification of protein domain structures, which clusters proteins at four major levels, Class(C), Architecture(A), Topology(T) and Homologous superfamily (H).
CODATA Key Values for Thermodynamics (CODATA )
The Committee on Data for Science and Technology (CODATA) has conducted a project to establish internationally agreed values for the thermodynamic properties of key chemical substances.
Knovel
Scientists and engineers worldwide use Knovel to find data faster and apply it more productively. Knovel brings together authoritative Sci-Tech reference works, embedded with analytical tools, on a powerful and intuitive research platform.
Perry Perry's Chemical Engineers' Handbook (7th Edition)
Table of Contents
Properties of Organic Compounds on CD ROM, Version 5.0
Substructure Searching is an important new feature of Version 5.0.
ThermoDex
ThermoDex contains records for printed and web-based compilations of thermochemical and thermophysical data for chemical compounds and other substances
Materials Properties Locator Database
Use this database to find out which SEL reference books (Science & Engineering Libarry, UB)contain properties data (mechanical, physical, electrical, thermal, etc.) for particular types of materials
SOLV-DB
SOLV-DB is presented by The National Center for Manufacturing Sciences.
ChemWeb.com Chapman & Hall/CRC Properties of Organic Compounds
The Properties of Organic Compounds, version 5.0, is a single source of physical property and spectral data for approximately 27,500 organic compounds.
Chemconnections
This web is providing rich free detailed information of college chemistry curriculum, Interactive Multimedia, Reference Materials and Databases, Organic Question Bank, Evaluation Materials of modular materials and curriculum news.
Chemical and Other Safety Information
Acids & Bases - Strengths of Solutions: A table showing the strength of concentrated solutions of a few common acids and bases.
Thermodynamics Research Laboratory
This is an exhaustive list about the Classical, Quantum, Nanoscale & Statistical Thermodynamics & Mechanics Educational Sites Classical, Quantum, Nanoscale & Statistical Thermodynamics & Mechanics Data and Property Calculation Sites by Dr. Mansoori, University of Illinois, Champaign
Database of Jinno Lab
Data items are compound identifications including 2Dstructure, Chromatogram, UV spectrum, Physical Properties for all compounds in different database categories.
FACT, FactSage
FactSage is a thermochemical software and database package developed jointly between Thermfact/CRCT (Montreal) and GTT-Technologies (Aachen) and is the result of over 20 years of collaborative efforts.
Georgia Institute of Technology
The site is a comprehensive on-line compilation of phase diagrams.
V-chemlib
This component is the main V-chemlib project. It was felt that the project should include molecules relevant to the undergraduate laboratories taught in the department of Chemistry at Imperial College
ACD pKa, LogP, LogD, Solubility
The internal database of ACD/Solubility DB contains data from the AQUASOL DataBase by special license arrangement with Prof. Samuel Yalkowsky, College of Pharmacy, University of Arizona.
ACD/I-Lab (NMR )
ACD/I-Lab is an Internet-based service for instant access to chemical databases and property predictions programs.
Advanced Petroleum-Based Fuels' Fuel Property Database
DOE sponsors research to develop and evaluate advanced petroleum-based fuels. This Web site provides key data on advanced compression ignition fuels.
AntiBase
The complete database of all known (approximately 30,000) natural compounds from micro-organisms and higher fungi.
AQUASOL dATAbASE of Aqueous Solubility
The sixth edition of the AQUASOL dATAbASE of Aqueous Solubility contains almost twenty thousand solubility records for almost six thousand compounds
Atomic Line List
This is a compilation of approximately 923,000 allowed, intercombination and forbidden atomic transitions with wavelengths in the range from 0.5 to 1000 μm.
Binding Database
The BindingDB is a public, web-accessible database of measured binding affinities for biomolecules, genetically or chemically modified biomolecules, and synthetic compounds.
Bordwell pKa Table (Acidity in DMSO)
This page by Hans J. Reich (Email: reich@chem.wisc.edu)
Chapman & Hall/CRC Dictionary of Commonly Cited Compounds
The Chapman & Hall/CRC Dictionary of Commonly Cited Compounds is a carefully edited database containing the 25,000 most popular compounds as used by chemists.
ChemFinder
ChemFinder WebServer is a chemical database, it can also provide information that a general-purpose WWW index cannot, including physical property data and 2D chemical structures.
Chemical Elements.com
Includes a detailed version of the periodic table and links to additional information.
Chemical Properties Handbook
Accurate information on how chemicals behave at different temperatures and under different conditions is provided for both organic (C1 to C28) and inorganic (Ag to Zn) substances.
ChemSage
ChemSage is a direct descendant of the widely used SOLGASMIX Gibbs energy minimiser program developed by Dr. Gunnar Eriksson nearly 30 years ago.
CINDAS( TPMD +MPMD)
CINDAS LLC provides critically evaluated materials properties databases for thermal, mechanical, electrical, physical and other properties of various materials
COMe-the bioinorganic motif database
COMe is an attempt to classify metalloproteins and some other complex proteins using the concept of bioinorganic motif.
CRC Handbook of Chemistry and Physics
The CRC Handbook of Chemistry and Physics has been one of the most important data reference books used by scientists worldwide for over fifty years.
CRC Handbook of Chemistry and Physics
The tables appeared in the 71st-79th Editions of the CRC Handbook but have been removed, retitled, or rearranged in subsequent editions.
David Ripin& David A.Evans pKa
Those data are collected by by David Ripin and David Evans for Chem 115 at Harvard University
DETHERM
The DETHERM database is produced from the DECHEMA e.V. in cooperation with the FIZ CHEMIE in Berlin and the DDBST GmbH, Oldenburg.
DIPPR
The Design Institute for Physical Property Data (DIPPR) of the American Institute of Chemical Engineers has become the premier cooperative physical property data effort in the United States to satisfy process engineering needs.
DIPPR
This experimental project is directed at obtaining phase equilibria and other data on systems of important industrial chemicals.
DOCK ( Kuntz )
OCK addresses the problem of "docking molecules to each other. It explores ways in which two molecules, such as a drug and an enzyme or protein receptor, might fit together.
Electron Binding Energies
Electron binding energies in eV for the elements in their natural forms Values compiled by Gwyn Williams.
Electron Interactions with Plasma Processing Gases
a service of the National Institute of Standards and Technology (NIST), and is jointly sponsored by the Standard Reference Data Program (SRDP), the National Semiconductor Metrology Program (NSMP), and the Electricity Division of the Electronics and Electrical Engineering Laboratory (EEEL).
Electronic Encyclopedia of Reagents for Organic Synthesis ( e-EROS)
Electronic Encyclopedia of Reagents for Organic Synthesis (e-EROS) contains a database of around 50,000 reactions and around 3800 of the most frequently consulted reagents and is fully searchable by structure and substructure, reagent, reaction type, experimental conditions etc.
Elemental Data Index
The Elemental Data Index provides access to the holdings of NIST Physics Laboratory online data organized by element.
Engineering material properties
A table of properties for common materials, including densities, heat capacities, heats of combustion, heats of vaporization, heats of fusion, thermal conductivities, thermal expansion coefficients, viscosities, and more.
EPI Suite
The EPI (Estimation Program Interface) Suite is a Windows based suite of physical/chemical property and environmental fate estimation models.
ERMS
The foundation of biodiversity research and management is correctly identifying and naming species.
FYDAT
FYDAT is database & program for physical and thermodynamic properties of organic compounds and technical gases.
Goodfellow
Goodfellow has a long history of service to the scientific community.
Handbook of Ternary Alloy Phase Diagrams (10 Volume Set)
This is largest collection of ternary phase diagrams and related crystal structure data ever assembled can be found in this 10 volume set. Some features of the reference set:
Infotherm
Searching Infortherm is free. To view the full data record, it will cost from several to over a hundred Euros, depending what data you would view.
International Chemical Safety Cards ( ICSCs)
The ICSCs project is an undertaking of the International Programme on Chemical Safety (IPCS).
International Data Series, Selected Data on Mixtures, Series A
A serial publication, initiated by TRC in 1973, IDS contains fully documented tabular experimental data for non-electrolyte mixtures of organic compounds.
IUPAC Stability Constants Database (SC-Database )
SC-Database is a compilation of literature data, intended to direct the user to the original literature reference.
IVC-SEP Data Bank for Electrolyte Solutions ( IVC-SEP )
The 105,321 experimental data currently stored electronically include the following types of data
Key to Metals
Key to Metals is the world's most comprehensive database of nonferrous metals: Aluminium, Copper, Titanium, Magnesium, Tin, Zinc, Lead, Nickel, ... and more.
Klotho: Biochemical Compounds Declarative Database
Klotho is part of their attempt to model biological processes, beginning with biochemistry.
LIPIDAT
LIPIDAT is a relational database of thermodynamic and associated information on lipid mesophase and crystal polymorphic transitions.
LIPIDBANK for Web

Chemical Principles," 3rd edition, Benjamin/Cummings Publishing, 1979.

There are 431 oils in the Oil Properties Database. CCD (Chapman & Hall/CRC Combined Chemical
a wealth of chemical information from Chapman & Hall/CRC, available on the Internet.
Landolt-Bornstein is the unique and top-quality chemistry, physics and technology data collection.
knovel has announced free access to four new chemistry reference databases for academic libraries.
   
 
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