Reference Data
At Caltech
- NASA/JPL Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies
- Our first resource for atmospherically relevant kinetic and photochemical data.
- HITRAN Spectral Database
- High-resolution infrared spectral information for atmospherically relevant molecules. Register with them for free access to the database.
- NIST Chemistry Webbook
- Fast-access reference data for over 16,000 compounds.
- NIST Kinetics Database
- Critically-evaluated kinetics data for gas-phase reactions.
- IUPAC Kinetics and Photochemistry Data
- IUPAC-evaluated kinetic and photochemical data for atmospherically relevant reactions.
- Max Planck Institute UV/Vis Spectral Database
- UV/Vis spectra of atmospherically relevant gases, stored as text files.
- Pacific Northwest National Lab's Gas-Phase IR Spectral Database
- An excellent resource for reference IR spectra at 0.112 cm-1 resolution. Mainly organics and some atmospherically relevant gases.
- SpectralCalc.com Spectral Simulator
- A fast, flexible spectrum simulator. They currently have data from the HITRAN2008, HITRAN 2004, GEISA2003, and HITEMP databases.
- Multiwell Program Suite
- The home of Professor John R. Barker's Multiwell, DenSum, Thermo, and MomInert programs, which utilize statistical mechanics to calculate time-dependent properties of unimolecular chemical reactions.
- SOCJT and SpecView
- SOCJT and SpecView are Professor Terry A. Miller's programs for interpreting spectroscopic data. SOCJT is useful because it can calculate spin-orbit coupling and Jahn-Teller distortion terms of a Hamiltonian.
- JPL Spectroscopy Fitting Programs
- Dr. Herbert Pickett's programs for interpreting spectroscopic data. Click on "calpgm" and refer to the online documentation for instructions.
At Caltech
- Chemistry and Chemical Engineering
- Environmental Science and Engineering
- Geological and Planetary Sciences
- Academic Seminar Calender