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- W2023001049 abstract "Compact approximate equations for rovibrational densities of states ρ(E,J) for harmonic oscillator-rigid rotor molecular systems are derived. Linear molecules, spherical tops, prolate and oblate symmetric tops are considered. Vibrational densities of states are represented by the Whitten-Rabinovitch approximation which then is convoluted with the contribution from the K-rotor (for a symmetric top). Likewise, numbers of states W(E,J) are approximated for prolate symmetric top molecules. The derived expressions allow for quick calculations of specific rate constants k(E,J) of unimolecular reactions." @default.
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- W2023001049 title "Approximate determination of rovibrational densities of states ρ(E,J) and numbers of states W(E,J)" @default.
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