Vibrational angular momentum level densities of linear molecules

نویسندگان

چکیده

• A method to calculate vibrational angular momentum level densities for linear molecules is derived. It applied small carbon clusters as case studies. The uses a recurrence relation and applicable all molecules. result of importance the description unimolecular bi-molecular reactivities. While in their ground state cannot carry around symmetry axis, presence excitations can induce deformations away from linearity therefore also allow along molecular axis. In this work, established calculation (densities states) molecules, specified with respect both energy momentum. sizes n = 4 , 6 7 study.

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ژورنال

عنوان ژورنال: Chemical Physics Letters

سال: 2021

ISSN: ['0009-2614', '1873-4448']

DOI: https://doi.org/10.1016/j.cplett.2021.138385