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Full-Text Articles in Physical Sciences and Mathematics
A Database Of Water Transitions From Experiment And Theory (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Linda R. Brown, Alain Campargue, Attila G. Császár, Ludovic Daumont
A Database Of Water Transitions From Experiment And Theory (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Linda R. Brown, Alain Campargue, Attila G. Császár, Ludovic Daumont
Chemistry & Biochemistry Faculty Publications
The report and results of an IUPAC Task Group (TG) formed in 2004 on "A Database of Water Transitions from Experiment and Theory" (Project No. 2004-035-1-100) are presented. Energy levels and recommended labels involving exact and approximate quantum numbers for the main isotopologues of water in the gas phase, H216O, H2180, H217O, HD16O, HD18O, HD17O, D216O, D218O, and D217O, are determined from measured transition frequencies. The transition frequencies and energy levels are validated using first-principles nuclear …
Recommended Isolated-Line Profile For Representing High-Resolution Spectroscopic Transitions (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Alain Campargue, Attila G. Császár, Ludovic Daumont, Robert R. Gamache, Joseph T. Hodges, Daniel Lisak, Olga V. Naumenko, Laurence S. Rothman
Recommended Isolated-Line Profile For Representing High-Resolution Spectroscopic Transitions (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Alain Campargue, Attila G. Császár, Ludovic Daumont, Robert R. Gamache, Joseph T. Hodges, Daniel Lisak, Olga V. Naumenko, Laurence S. Rothman
Chemistry & Biochemistry Faculty Publications
The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety alternative line-profile models. These models capture more of the physics of the influence of pressure …