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• W2334767826 abstract "In this work we analyzed the multiple channels of the reaction NF+F through the evaluation of thermal rate constants with both Wigner and Eckart tunneling corrections. Minimum energy paths and intrinsic reaction coordinates of the systems were obtained and accurately studied in order to ensure the consistency of our results. Specifically, we investigated the NF + F = N + F(2), NF + F = NF + F, and NF(2) = NF + F, reactive systems. As experimental data are available for the latter reaction, we were able to conclude that our thermal rate constants are in agreement for a wide range of temperatures. The here performed study is relevant to the understanding of the decomposition process of nitrogen trifluoride (NF(3))." @default.
• W2334767826 created "2016-06-24" @default.
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• W2334767826 date "2011-07-06" @default.
• W2334767826 modified "2023-10-14" @default.
• W2334767826 title "Thermal Rate Constant Calculation of the NF + F Reactive System Multiple Arrangements" @default.
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• W2334767826 doi "https://doi.org/10.1021/jp204229d" @default.
• W2334767826 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21692529" @default.
• W2334767826 hasPublicationYear "2011" @default.
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