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Full-Text Articles in Physical Sciences and Mathematics
Exomol Line List - Xxxiv. A Rovibrational Line List For Phosphinidene (Ph) In Its X³Σ¯ And A¹Δ Electronic States, Jonathan Langleben, Jonathan Tennyson, Sergei N. Yurchenko, Peter Bernath
Exomol Line List - Xxxiv. A Rovibrational Line List For Phosphinidene (Ph) In Its X³Σ¯ And A¹Δ Electronic States, Jonathan Langleben, Jonathan Tennyson, Sergei N. Yurchenko, Peter Bernath
Chemistry & Biochemistry Faculty Publications
A rovibronic line list for the ground (X3Σ−) and first excited (a1Δ) states of phosphinidene, 31PH, is computed. The line list is designed for studies of exoplanetary and cool stellar atmospheres with temperatures up to 4000 K. A combination of empirical and ab initio data is used to produce the line list: potential energy curves (PECs) are fitted using experimental transition frequencies; these transitions are reproduced with a root mean square error of 0.01 cm−1. The nuclear Schrödinger equation is solved using these PECs plus Born–Oppenheimer and spin splitting correction terms. …
Atlas Of Experimental And Theoretical High Temperature Methane Cross Sections From T = 295 To 1000k In The Near-Infrared, Andy Wong, Peter F. Bernath, Michael Rey, Andrei V. Nikitin, Vladimir G. Tyuterev
Atlas Of Experimental And Theoretical High Temperature Methane Cross Sections From T = 295 To 1000k In The Near-Infrared, Andy Wong, Peter F. Bernath, Michael Rey, Andrei V. Nikitin, Vladimir G. Tyuterev
Chemistry & Biochemistry Faculty Publications
Spectra of hot methane were recorded using a tube furnace and a high-resolution Fourier transform spectrometer. We obtained experimental absorption spectra in the 1.85-1.11 μm near-infrared region at eight temperatures ranging from 295 K up to 1000 K. We have converted these into an atlas of absorption cross sections at each temperature for the methane tetradecad, icosad and triacontad polyads, excluding some spectral intervals either strongly contaminated by water or due to baseline fringes. On the theoretical side, the spectra were simulated from the ab initio-based Reims-Tomsk TheoReTS line list for the same experimental conditions. This line list has been …