VIBFREQ1295: A new database for vibrational frequency calculations

JC Zapata Trujillo, LK McKemmish - The Journal of Physical …, 2022 - ACS Publications
High-throughput approaches for producing approximate vibrational spectral data for
molecules of astrochemistry interest rely on harmonic frequency calculations using …

[HTML][HTML] IUPAC critical evaluation of the rotational–vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O

J Tennyson, PF Bernath, LR Brown… - Journal of quantitative …, 2013 - Elsevier
This is the third of a series of articles reporting critically evaluated rotational–vibrational line
positions, transition intensities, and energy levels, with associated critically reviewed labels …

Energy levels, intensities, and linewidths of atmospheric carbon dioxide bands

LS Rothman, RL Hawkins, RB Wattson… - Journal of quantitative …, 1992 - Elsevier
Spectroscopic constants are given for eight isotopic variants of carbon dioxide which provide
energy levels for transitions required for terrestrial atmospheric ir absorption. A new …

CDSD-1000, the high-temperature carbon dioxide spectroscopic databank

SA Tashkun, VI Perevalov, JL Teffo, AD Bykov… - Journal of Quantitative …, 2003 - Elsevier
We present a high-temperature version, CDSD-1000, of the carbon dioxide spectroscopic
databank. The databank contains the line parameters (positions, intensities, air-and self …

[图书][B] Fourier transforms in spectroscopy

J Kauppinen, J Partanen - 2001 - books.google.com
This modern approach to the subject is clearly and logically structured, and gives readers an
understanding of the essence of Fourier transforms and their applications. All important …

The spectroscopy of water vapour: Experiment, theory and applications

PF Bernath - Physical Chemistry Chemical Physics, 2002 - pubs.rsc.org
The recent spectroscopy of water vapour in the ground electronic state is reviewed.
Experimental advances from the microwave to the near ultraviolet spectral regions are …

ν2 band of H216O: line strengths and transition frequencies

RA Toth - JOSA B, 1991 - opg.optica.org
High-resolution spectra of H_2^ 16O were recorded with a Fourier-transform spectrometer
covering transitions in the (010)–(000) band from 1066 to 2582 cm^− 1. The measured line …

High-resolution far-infrared (20–350-cm−1) spectra of several isotopic species of H2O

JWC Johns - JOSA B, 1985 - opg.optica.org
Far-infrared pure rotational spectra of H_2^ 16O, H_2^ 18O, HD^ 16O, HD^ 18O, D_2^ 16O,
and D_2^ 18O have been measured with a high-resolution Fourier-transform spectrometer …

Accurate empirical rovibrational energies and transitions of H 2 16 O

R Tóbiás, T Furtenbacher, J Tennyson… - Physical Chemistry …, 2019 - pubs.rsc.org
Several significant improvements are proposed to the computational molecular
spectroscopy protocol MARVEL (Measured Active Rotational–Vibrational Energy Levels) …

CDSD-296, high resolution carbon dioxide spectroscopic databank: Version for atmospheric applications

SA Tashkun, VI Perevalov, RR Gamache… - Journal of Quantitative …, 2015 - Elsevier
We present an atmospheric version, CDSD-296, of the carbon dioxide spectroscopic
databank (CDSD). The databank contains the calculated line parameters (positions …