Physico-chemical Data and Resources
1.2 Resources and Databases

General physico-chemical data

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

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

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

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