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Supporting Information: Phenomenological determination of the isomerization transition state energy of carbonyl sulfide

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posted on 2025-11-14, 13:05 authored by Amine Rafik, Jamil Khalouf-Rivera, Francisco Perez-Bernal, Khadija Marakchi, Miguel Carvajal
1.- CALCULATED BENDING ENERGY LEVELS UP TO 16 000 CM−1 FOR THE TWO REPORTED FITS AND COMPARISON WITH THE AVAILABLE EXPERIMENTAL AND PREDICTED DATA. 2.- RELATIVE RESIDUALS FOR FIT I AND FIT II CALCULATIONS. 3.- PARTICIPATION RATIO, EXPECTATION VALUES OF THE n̂ OPERATOR, AND SQUARED COMPONENTS OF THE WAVEFUNCTIONS FOR FIT II

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