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• W2018463887 abstract "We present a canonical-ensemble version of the unified statistical model and we apply it to calculate classical-mechanical thermal-rate constants for 11 collinear reactions of the type A+BC→AB+C. The results are compared to accurate classical dynamics. The canonical unified statistical results are always more accurate than variational transition state theory at high enough temperature, but in two cases they significantly overestimate the recrossing corrections at low and medium temperatures." @default.
• W2018463887 created "2016-06-24" @default.
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• W2018463887 date "1982-02-15" @default.
• W2018463887 modified "2023-09-29" @default.
• W2018463887 title "Canonical unified statistical model. Classical mechanical theory and applications to collinear reactions" @default.
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• W2018463887 doi "https://doi.org/10.1063/1.443157" @default.
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