The VoTe Room Temperature H216O Line List up to 25 000 cm–1
نویسندگان
چکیده
منابع مشابه
A computed room temperature line list for phosphine
0022-2852/$ see front matter 2013 Elsevier Inc. A http://dx.doi.org/10.1016/j.jms.2013.04.002 ⇑ Corresponding author. E-mail address: [email protected] (C. Sousa-S An accurate and comprehensive room temperature rotation-vibration transition line list for phosphine (PH3) is computed using a newly refined potential energy surface and a previously constructed ab initio electric dipole moment...
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Ab initio potential energy and dipole moment surfaces are computed for sulfur trioxide (SO3) at the CCSD(T)-F12b level of theory and appropriate triple-zeta basis sets. These surfaces are fitted and used, with a slight correction for the equilibrium S–O distance, to compute pure rotational and rotation-vibraton spectra of SO3 using the variational nuclear motion program TROVE. The calculations ...
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ژورنال
عنوان ژورنال: Optics and Spectroscopy
سال: 2019
ISSN: 0030-400X,1562-6911
DOI: 10.1134/s0030400x19120397