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- W2374743392 abstract "The equilibrium structure of the ground state X1Σ+ of SeC had been calculated using different method and basis sets.The conclusion was made that the method B3LYP/6-311++G(3df) is the best one for the energy calculation of SeC by comparing the experimental data.The harmonic frequency and the whole potential curve for the ground state of SeC was further scanned using the method B3LYP/6-311++G(3df),a least square was then fitted to Murrell-Sorbie function,and finally the spectroscopy constants were calculated with a better agreement with the experimental data." @default.
- W2374743392 created "2016-06-24" @default.
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- W2374743392 date "2012-01-01" @default.
- W2374743392 modified "2023-09-27" @default.
- W2374743392 title "Harmonic Frequency and Potential Energy Function for the Ground State X~1Σ~+ of SeC" @default.
- W2374743392 hasPublicationYear "2012" @default.
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