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- W2314921142 abstract "The quantum mechanical transition state reaction rates for both microcanonical and macrocanonical expressions are derived from a recently developed classical reaction rate theory. The newly derived quantum transition-state-like rates are good for both unimolecular reaction and bimolecular reaction depending on the choices of the transition state dividing surfaces. In a special choice of the transition dividing surface for bimolecular reaction, the macrocanonic rate derived in this paper is reduced to the flux-flux autocorrelation formalism derived from quantum bimolecular reactive scattering by Miller and to those obtained by Yamamoto using Kuto linear response analysis." @default.
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- W2314921142 date "1996-02-14" @default.
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- W2314921142 title "An Alternative Derivation of Quantum Mechanical Transition State Reaction Rate Theory" @default.
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- W2314921142 doi "https://doi.org/10.1088/0253-6102/25/1/1" @default.
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