Hybrid calculation of the partition functions of prolate top molecules: Using HOCl as the test case

Author:

Ross Stephen C.,Yamada Koichi M.T.,Ito Fumiyuki

Publisher

Elsevier BV

Subject

Spectroscopy,Atomic and Molecular Physics, and Optics,Radiation

Reference28 articles.

1. Tiesinga E., Mohr P. J., Newell D. B., Taylor B. N. “The 2018 CODATA recommended values of the fundamental physical constants” (web version 8.1). Database developed by J. Baker, M. Douma, and S. Kotochigova. 2020. Available at http://physics.nist.gov/constants, NationalInstitute of Standards and Technology, Gaithersburg, MD 20899.

2. The asymptotic asymmetric-top rotational partition function

3. Accurate partition function and thermodynamic data for water

4. High temperature partition functions and thermodynamic data for ammonia and phosphine

5. How Accurate Are Approximate Methods for Evaluating Partition Functions for Hindered Internal Rotations?

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. GSRB rotation and rovibration intensities for: The bent HOCl molecule, and for: Quantum monodromy in NCNCS;Journal of Quantitative Spectroscopy and Radiative Transfer;2020-09

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