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SRD 69 NIST Chemistry WebBook (Web, free access)  |
| The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids. |
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SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)  |
| The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties. |
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SRD 114 Diatomic Spectral Database (Web, free access)  |
| All of the rotational spectral lines observed and reported in the open literature for 121 diatomic molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given for each transition reported. |
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SRD 115 Hydrocarbon Spectral Database (Web, free access)  |
| All of the rotational spectral lines observed and reported in the open literature for 91 hydrocarbon molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported. |
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SRD 117 Triatomic Spectral Database (Web, free access)  |
| All of the rotational spectral lines observed and reported in the open literature for 55 triatomic molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported. |
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The following Journal of Physical and Chemical Reference Data articles may also be of interest: Adobe Acrobat Reader is required to view these articles. (8 articles(s) found) |
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Atlas of the Observed Absorption Spectrum of Carbon Monoxide between 1060 and 1900 Å S. G. Tilford, J. D. Simmons JPCRD 1(1) pp. 147-188 (1972) Full Text: PDF |
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Improved Fits for the Vibrational and Rotational Constants of Many States of Nitrogen and Oxygen Russ R. Laher, Forrest R. Gilmore JPCRD 20(4) pp. 685-712 (1991) Full Text: PDF |
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Microwave Spectral Tables. I. Diatomic Molecules Frank J. Lovas, Eberhard Tiemann JPCRD 3(3) pp. 609-770 (1974) | Diatomic Spectral Database |
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Microwave Spectral Tables. II. Triatomic Molecules Frank J. Lovas JPCRD 7(4) pp. 1445-1750 (1978) Full Text: PDF | Triatomic Spectral Database |
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Microwave Spectral Tables. III. Hydrocarbons, CH to C10H10 F. J. Lovas, R. D. Suenram JPCRD 18(3) pp. 1245-1524 (1989) Full Text: PDF | Hydrocarbon Spectral Database |
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Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules M. E. Jacox JPCRD Monograph(3) pp. 1-461 (1994) Full Text: PDF |
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Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement A Marilyn E. Jacox JPCRD 27(2) pp. 115-393 (1998) Full Text: PDF |
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Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement B Marilyn E. Jacox JPCRD 32(1) pp. 1-441 (2003) Full Text: PDF |
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