Showing papers in "Journal of Molecular Spectroscopy in 2016"

TL;DR: The Cologne Database for Molecular Spectroscopy (CDMS) as discussed by the authors provides line lists of mostly molecular species which are or may be observed in various astronomical sources (usually) by radio astronomical means.

TL;DR: The ExoMol database as mentioned in this paper provides extensive line lists of molecular transitions which are valid over extended temperature ranges, including lifetimes of individual states, temperature-dependent cooling functions, Lande g-factors, partition functions, cross sections, k-coefficients and transition dipoles with phase relations.

TL;DR: The GEISA database (Gestion et Etude des Informations Spectroscopiques Atmospheriques: Management and Study of Atmospheric Spectroscopic Information) has been developed and maintained by the ARA/ABC(t) group at LMD since 1974.

TL;DR: Theoretical Reims-Tomsk Spectral data ( TheoReTS) as mentioned in this paper is an Internet accessible information system devoted to ab initio based rotationally resolved spectra predictions for some relevant molecular species.

TL;DR: In this paper, the authors used spectra of the Lyman and Werner bands of H2 at high redshift and those measured in the laboratory can be interpreted in terms of possible variations of the proton-electron mass ratio μ = m p / m e over cosmological history.

TL;DR: In this article, the authors evaluated the ozone absorption cross-sections in the UV range with particular focus on the Huggins band and concluded that the spectroscopic data of Bass and Paur published in 1985 (BP, 1985) are still officially recommended for such measurements.

TL;DR: The line position of the very weak S(2) transition of deuterium in the 2-0 band has been measured with a Comb-Assisted Cavity Ring Down spectrometer as mentioned in this paper.

TL;DR: In this paper, the authors present a critical review focusing on recent laboratory measurements in two near-infrared window regions and include reference to the window centred on 2600 cm−1 where more measurements have been reported.

TL;DR: In this paper, the authors summarized three applications of second moments which quickly and easily provide insights and conclusions about a molecule's structure not easily obtained from the molecule's rotational constants, and showed the contribution and transferability of CH2/CH3, CF2/CF3, isopropyl, and phenyl groups to molecular constants.

TL;DR: In this article, high-resolution solar absorption spectra have been recorded at the Peterhof station (59.88°N, 29.82°E) of Saint Petersburg State University located in the suburbs of St. Petersburg.

TL;DR: In this paper, a multispectrum nonlinear least squares curve fitting technique has been used to retrieve the various spectral line parameters, including line positions, intensities, and line shape parameters including their temperature dependences.

TL;DR: A line list of transitions for seven isotopologues of water vapor in the 1100-4100 wavenumber range has been constructed for application to atmospheres rich in CO 2.

TL;DR: In this article, the authors investigated the impact of the dipolemoment function (DMF) representation on the high-overtone intensity simulation of the CO molecule, and they tested various DMF forms including pointwise representation combined with cubic-spline interpolation, power and trigonometric expansions, and Pade approximants.

TL;DR: In this article, a description of the phenyl-ring-localized vibrational modes of the ground states of the para-disubstituted benzene molecules including both symmetric and asymmetric cases is given.

TL;DR: In this paper, the authors investigate Born-Oppenheimer breakdown (BOB) effects for the electronic ground states of a series of homonuclear and heteronuclear alkali-metal diatoms, together with the Sr2 and Yb2 diatomics.

TL;DR: The file structures of the input and output files of the spcat/spfit programs are outlined and a simple tutorial on how to run the programs is presented.

TL;DR: In this article, an ab initio potential energy surface (PES) for gas-phase ammonia NH3 has been computed using the methodology pioneered for water (Polyansky et al., 2013).

TL;DR: In this paper, the line centers of H 3 + and its deuterated variants have been determined with high accuracy and precision, typically well below 1 MHz, with the help of a frequency comb system.

TL;DR: In this paper, the Fourier spectrum of the very weak 3 ν 1 band of 34S16O2 was recorded for the first time in the region 3350-3470 cm−1 and theoretically analyzed.

TL;DR: In this article, a new rovibrational study of the ν6 band of methyl iodide was conducted to obtain a rather complete line list and a new analysis of line positions was accomplished.

TL;DR: In this article, a Fourier Transform (FT) absorption spectrum of room temperature NH3 in the region 7400-8640 cm−1 is analyzed using a variational line list and ground state energies determined using the MARVEL procedure.

TL;DR: In this paper, an intermolecular potential energy surface and rovibrational transition frequencies are computed for CO 2 -C 2 H 2, and an interpolating moving least squares method is used to fit ab initio points at the explicitly correlated coupled-cluster level.

TL;DR: In this paper, the pulsed-field-ionization zero-kinetic-energy photoelectron spectrum of H2 has been recorded in the vicinity of the dissociative ionization threshold following three-photon excitation via selected rotational levels of the B 1 Σ u + (v = 19) and H 1 ǫ g + (n = 11) intermediate states.

TL;DR: In this article, Cavity Ring Down Spectrometer (CRDS) was used to detect the S(3) quadrupole electric transition of the HD fundamental band, at 4359.940 cm−1.

TL;DR: This work introduces an original and powerful approach for evaluating spectroscopic parameters: the Spectroscopic Parameters And Radiative Transfer Evaluation (SPARTE) chain, and shows that the simultaneous availability of two databases such as GEISA and HITRAN helps identifying remaining issues in each database.

TL;DR: In this article, Yurchenko et al. provide direct solutions of the nuclear motion Schrodinger equation for the (coupled) potential energy curves of open shell diatomic molecules.

TL;DR: In this paper, it was shown that the Ar N bond strength falls below the Ar O bond energy in ArOH+ but in line with that from ArH 2 + indicating that ArNH+ could certainly be synthesized in the lab or, potentially, in nature.

TL;DR: In this article, a set of methods for retrieving the [O] and [O3] altitude distributions from the observation of emissions of the excited oxygen molecules and O( 1 D ) atom at daytime in the mesosphere and lower thermosphere (MLT) region was proposed.

TL;DR: The microwave spectrum of bromoperfluoroacetone has been observed and reported for the first time on a newly constructed CP-FTMW spectrometer located at Missouri S&T operational in the 6-18 GHz region of the electromagnetic spectrum.

TL;DR: In this paper, the water vapor line broadening coefficients in the H 2 O-He absorption spectra were obtained from the analysis of the Bruker IFS 125HR FTIR spectrometer, recorded in the region from 5000 to 7500 cm −1 with the spectral resolution of 0.01cm −1.