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Full-Text Articles in Chemistry
Opacities Of S-Type Stars: The Singlet B¹⊓−X¹Σ⁺, B¹⊓−A¹Δ, And C¹Σ⁺−X¹Σ⁺ Band Systems Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin
Opacities Of S-Type Stars: The Singlet B¹⊓−X¹Σ⁺, B¹⊓−A¹Δ, And C¹Σ⁺−X¹Σ⁺ Band Systems Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin
Chemistry & Biochemistry Faculty Publications
The ZrO B1Π–X1Σ+, B1Π–A1Δ, and C1Σ+–X1Σ+ band systems are important opacity sources in the near-infrared and optical spectra of S-type stars. A total of 21 rovibronic bands with v'' ≤ 7 and v' ⩽ 5 were observed and fit for the B1Π–X1Σ+ transition, five bands for the 90ZrO B1Π–A1Δ transition and one band for the 90ZrO C1Σ+–X1Σ+ transition. All band …
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. …
Line Lists For Lif And Licl In The X1Σ+ Ground State, Dror M. Bittner, Peter F. Bernath
Line Lists For Lif And Licl In The X1Σ+ Ground State, Dror M. Bittner, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications
Vibration–rotation line lists for 6LiF, 7LiF, 6Li35Cl, 6Li37Cl, 7Li35Cl, and 7Li37Cl in the X1Σ+ ground states have been prepared. The rovibrational energy levels have been calculated using potential energy surfaces determined by direct potential-fitting employing the rotational and rovibrational transition frequencies of all isotopologues, and required the inclusion of Born–Oppenheimer breakdown terms. Dipole moment functions calculated ab initio at the MRCI/aug-cc-pwCV5Z level have been used for line strength calculations. Partition functions for temperatures up to 5000 K have been calculated. LiF and LiCl …