Physical Chemistry Essentials - Hofmann A. 2018
Physico-chemical Data and Resources
1.2 Resources and Databases
There are many widely available resources with various physico-chemical data, in print and online. A selection of resources for general, spectroscopic and structural data is compiled in Table 1.1.
Table 1.1
Select resources of physico-chemical, spectroscopic and structural data
General physico-chemical data |
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CRC Handbook of Chemistry and Physics |
Haynes, W.M. (edt.) (2012) 93rd edition, CRC Press. |
Book |
SI Chemical Data |
Aylward, G. & Findlay, T. (2013) 6th edition, John Wiley & Sons. |
Book |
National Institute of Standards and Technology, USA |
http://www.nist.gov/srd/onlinelist.cfm |
Public |
Mass spectrometry |
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MassBank (Japan) |
http://www.massbank.jp/?lang=en |
Public |
Mass Spectrometry Data Center (NIST) |
http://chemdata.nist.gov/ |
Public |
m/zCloud (HighChem LLC, Slovakia) |
http://www.mzcloud.org/ |
Public |
Spectral data |
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Spectral Database for Organic Compounds SDBS (National Institute of Advanced Industrial Science and Technology, Japan) |
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng |
Public |
Structural data |
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Cambridge Structural Database (CSD) Crystal structures of organic compounds |
http://www.ccdc.cam.ac.uk/products/csd/ |
Licence |
Inorganic Crystal Structure Database Crystal structures of inorganic compounds |
http://www.fiz-karlsruhe.de/icsd_content.html |
Licence |
CRYSTMET® Crystal structures of metals and alloys |
http://www.tothcanada.com/ |
Licence |
Protein Data Bank (PDB) Protein and oligosaccharide structures |
http://www.rcsb.org/pdb/ |
Public |
Biological Magnetic Resonance Data Bank (BMRB) NMR structures of biomolecules |
http://www.bmrb.wisc.edu/ |
Public |
Nucleic Acids Data Bank Structures of oligonucleotides |
http://ndbserver.rutgers.edu/ |
Public |
PDF Databases Powder diffraction data |
http://www.icdd.com/ |
Licence |