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• W2079279488 startingPage "645" @default.
• W2079279488 abstract "The principal purpose of this investigation is the determination of the tunneling half-lives of the trans -HCSH → H 2 CS and the trans -HCSeH → H 2 CSe unimolecular isomerization reactions at temperatures close to 0 K. To aid these determinations, accurate electronic structure computations were performed, with electron correlation treatments as extensive as CCSDT(Q) and basis sets as large as aug-cc-pCV5Z, for the isomers of [H,H,C,S] and [H,H,C,Se] on their lowest singlet surfaces and for the appropriate transition states yielding structural data for key stationary points characterizing the isomerization reactions. The computational results were subjected to a focal-point analysis (FPA) that yields accurate relative energies with uncertainty estimates. The tunneling half-lives were determined by a simple Eckart-barrier approach and via the more sophisticated though still one-dimensional Wentzel–Kramers–Brillouin (WKB) approximation. Only stationary-point information is needed for the former while an intrinsic reaction path (IRP) is necessary for the latter approach. Both protocols suggest that, unlike for the parent hydroxymethylene (HCOH), at the low temperatures of matrix isolation experiments no tunneling will be observable for the trans -HCSH and trans -HCSeH systems." @default.
• W2079279488 created "2016-06-24" @default.
• W2079279488 creator A5027412086 @default.
• W2079279488 creator A5070824562 @default.
• W2079279488 creator A5088764108 @default.
• W2079279488 date "2011-01-01" @default.
• W2079279488 modified "2023-09-24" @default.
• W2079279488 title "Do the mercaptocarbene (H–C–S–H) and selenocarbene (H–C–Se–H) congeners of hydroxycarbene (H–C–O–H) undergo 1,2-H-tunneling?" @default.
• W2079279488 cites W1584675441 @default.
• W2079279488 cites W1634018623 @default.
• W2079279488 cites W1971275758 @default.
• W2079279488 cites W1971705232 @default.
• W2079279488 cites W1976828279 @default.
• W2079279488 cites W1976939198 @default.
• W2079279488 cites W1978923131 @default.
• W2079279488 cites W1982274673 @default.
• W2079279488 cites W1985878811 @default.
• W2079279488 cites W1987702886 @default.
• W2079279488 cites W1988579534 @default.
• W2079279488 cites W1990969658 @default.
• W2079279488 cites W1992024123 @default.
• W2079279488 cites W1993077801 @default.
• W2079279488 cites W1993366497 @default.
• W2079279488 cites W1994917514 @default.
• W2079279488 cites W2000401662 @default.
• W2079279488 cites W2001770854 @default.
• W2079279488 cites W2005331023 @default.
• W2079279488 cites W2010370410 @default.
• W2079279488 cites W2011079470 @default.
• W2079279488 cites W2011842987 @default.
• W2079279488 cites W2011940105 @default.
• W2079279488 cites W2012458244 @default.
• W2079279488 cites W2012863623 @default.
• W2079279488 cites W2013234941 @default.
• W2079279488 cites W2017245598 @default.
• W2079279488 cites W2020683450 @default.
• W2079279488 cites W2022591290 @default.
• W2079279488 cites W2023271753 @default.
• W2079279488 cites W2024124883 @default.
• W2079279488 cites W2027111719 @default.
• W2079279488 cites W2029544136 @default.
• W2079279488 cites W2029928081 @default.
• W2079279488 cites W2031170259 @default.
• W2079279488 cites W2031822428 @default.
• W2079279488 cites W2034815131 @default.
• W2079279488 cites W2035038252 @default.
• W2079279488 cites W2035196826 @default.
• W2079279488 cites W2041192156 @default.
• W2079279488 cites W2041638743 @default.
• W2079279488 cites W2042897472 @default.
• W2079279488 cites W2044940178 @default.
• W2079279488 cites W2045527264 @default.
• W2079279488 cites W2046152027 @default.
• W2079279488 cites W2059605663 @default.
• W2079279488 cites W2060434245 @default.
• W2079279488 cites W2062606596 @default.
• W2079279488 cites W2063214713 @default.
• W2079279488 cites W2065708535 @default.
• W2079279488 cites W2068620567 @default.
• W2079279488 cites W2069006374 @default.
• W2079279488 cites W2070884395 @default.
• W2079279488 cites W2072108342 @default.
• W2079279488 cites W2075486066 @default.
• W2079279488 cites W2075590252 @default.
• W2079279488 cites W2078057866 @default.
• W2079279488 cites W2079458939 @default.
• W2079279488 cites W2089759714 @default.
• W2079279488 cites W2092930273 @default.
• W2079279488 cites W2094215168 @default.
• W2079279488 cites W2104588364 @default.
• W2079279488 cites W2106580889 @default.
• W2079279488 cites W2109931506 @default.
• W2079279488 cites W2120686106 @default.
• W2079279488 cites W2130539605 @default.
• W2079279488 cites W2133522908 @default.
• W2079279488 cites W2143981217 @default.
• W2079279488 cites W2160132934 @default.
• W2079279488 cites W2164318957 @default.
• W2079279488 cites W2334132462 @default.
• W2079279488 cites W2550010426 @default.
• W2079279488 cites W2591653557 @default.
• W2079279488 cites W2953383411 @default.
• W2079279488 cites W3004899599 @default.
• W2079279488 cites W4242733117 @default.
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• W2079279488 doi "https://doi.org/10.1135/cccc2011053" @default.
• W2079279488 hasPublicationYear "2011" @default.
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