Databases Inorganic

Shushichi Kimura, Materials Database Inorganic Materials, Nikkan Kogyo Shimbun, Tokyo, 1989. 

Chemical Abstracts Service Information System Chemical Engineering Databases Chemical Safety Information Databases Factual Information Databases Inorganic Chemistry Databases Internet Internet-based Computational Chemistry Tools Online Databases in Chemistry Reaction Databases Structure Databases. 

Cambridge Structural Database Chemical Abstracts Service Information System Factual Information Databases Inorganic Compound Representation Inorganic Three-dimensional Structure uiatabases Online Databases in Chemistry. 

Inorganic Chemistry Databases Inorganic Three-dimensional Structure Databases Structure Databases Structure Representation. 

Electronegativity and the Periodic Table Experimental Data Evaluation and Quality Control Factual Information Databases Inorganic Chemistry Databases Inorganic Compound Representation Internet-based Computationai Chemistry Tools Lanthanides and Actinides Materiais Properties Online Databases in Chemistry Structural Chemistry Application of Mathematics Symmetry in Chemistry X-Ray Crystallographic Analysis and Semiempirical Computations Zeolites Applications of Computational Methods. 

Chemometrics Multivariate View on Chemical Problems Combinatorial Chemistry Factual Information Databases Fuzzy Methods in Chemistry Infrared Data Correlations with Chemical Structure Infrared Spectra Interpretation by the Characteristic Frequency Approach Inorganic Chemistry Databases Inorganic Compound Representation NMR Chemical Shift Computation Ab Initio NMR Chemical Shift Computation Structural Applications NMR Data Correlation with Chemical Structure Online Databases in Chemistry Spectroscopy Computational Methods Standard Exchange Formats for Spectral Data Structure and Substructure Searching Structure Determination by Computer-based Spectrum Interpretation Structure Generators Synthesis Design. 

Beilstein and Gmelin are the world s largest factual databases in chemistiy. Beil-stein contains facts and structures relating to organic chemistry, whereas Gmelin provides information on inorganic, coordination, and organomctallic compounds. 

The two major databases containing information obtained from X-ray structure analysis of small molecules are the Cambridge Structural Database (CSD) [25] and the Inorganic Crystal Structure Database (ICSD) [26] both are available as in-house versions. CSD provides access to organic and organometallic structures (mainly X-ray structures, with some structures from neutron diffraction), data which are mostly unpublished. The ICSD contains inorganic structures. 

ICSD is a numeric database with 65 000 inorganic crystal structures (December,... 

The Cambridge Structural Database (C5D) and the Inorganic Crystal Structure Database (ICSD) contain information obtained from X-ray structure analysis. 

Another recent database, still in evolution, is the Linus Pauling File (covering both metals and other inorganics) and, like the Cambridge Crystallographic Database, it has a "smart software part which allows derivative information, such as the statistical distribution of structures between symmetry types, to be obtained. Such uses are described in an article about the file (Villars et al. 1998). The Linus Pauling File incorporates other data besides crystal structures, such as melting temperature, and this feature allows numerous correlations to be displayed. 

L. G. SiLLfiN and A. E. Martell, Stability Constants of Metal-ion Complexes, The Chemical Society, London, Special Publications No. 17, 1964, 754 pp., and No. 25, 1971, 865 pp. Stability Constants of Metal-lon Complexes, Part A. Inorganic Ligands (E. Hcigfeldt, ed.), 1982, pp. 310, Part B. Organic Ligands (D. Perrin, ed.), 1979, pp. 1263. Pergamon Press, Oxford. A continually updated database is now provided by L. D. Pettit and K. J. Powell (eds.), IVPAC Stability Constants Database, lUPAC and Academic Software. 

The National Institute of Standards and Technology (NIST) molten salts database has been designed to provide engineers and scientists with rapid access to critically evaluated data for inorganic salts in the molten state. Properties include density, viscosity, electrical conductance, and surface tension. Properties for approximately 320 single salts and 4000 multicomponent systems are included, the latter being primarily binary. Data have been abstracted from the literature over the period 1890-1990. The primary data sources are the National Bureau of Standards-National... 

Jarvinen AW, Ankley G. 1999. Linkage of effects to tissue residues development of a comprehensive database for aquatic organisms exposed to inorganic and organic chemicals. Pensacola (FL) SETAC. 

Inorganic Crystal Structure Database (FTZ, Karlsruhe, Germany)... 

Inorganic Crystal Structure Database (ICSD). Fachinformationszentrum Karlsruhe, Germany, and National Institute of Standards and Technology, Gaithersburg, MD, USA. Electronic database of crystal structures of inorganic compounds. www.fiz-karlsruhe.de/ecid/lnternet/en/DB/icsd/. 

CAS Registry. CAS Registry [23], a substance database containing structures and chemical names, has more than 25,000,000 substance records, including more than 16,000,000 organic and inorganic substances and 4,000,000 biosequences. CAS Registry is commercially available from the American Chemical Society. 

Moreover, this model counts with a substance database for both organic and inorganic substances as well as default values when a parameter is unknown. In addition, the model can conduct calculations for different substances at the same time. However, the model is more developed for the organic compounds than for the inorganic ones. 

Dise NB, Rothwell JJ, Gauci V, van der Salm C, de Vries W (2009) Predicting dissolved inorganic nitrogen in European forests using two independent databases. Sci Total Environ 407 1798-808... 

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