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Databases Providing Spectral Data
#of
structures

access
type

service description
48,000 Free NIST Chemistry WebBook - NIST Standard Reference Database:Gas phase thermochemical data 6,700+ 
Condensed phase thermodynamic data 6,600+ 
Phase change thermodynamic data 13,800+ 
Reaction thermodynamic data 9,800+ 
Gas phase ion energetics data 15,600+ 
Gas phase ion cluster data 1,100+ 
IR spectrum 16,000+ 
Mass spectrum 15,000+ 
UV/Vis spectrum 1,600+ 
Vibrational & electronic energy levels 4,400+ 
Constants of diatomic molecules 600+ 
Fluid property data 34

 

 

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