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- W2017293354 abstract "This paper describes crossed beam experiments and quasiclassical trajectory (QCT) calculations for the 'insertion' reaction O(1D)+D2 at a collision energy (Ec=25.9 kJ mol-1) much higher than the calculated barrier (∼8.4 kJ mol-1) for the competitive 'abstraction' mechanism, which takes place along the excited state potential energy surfaces (PES). Adiabatic QCT calculations were carried out on the ground 11A' and first excited 11A'' PESs developed by Dobbyn and Knowles. Non-adiabatic contributions from the excited 21A' PES to the reaction were considered by means of a trajectory surface hopping method. QCT calculations were also performed at Ec=22.2 kJ mol-1 to compare with previous experimental results. Excellent agreement was found between experiment and QCT predictions at Ec=22.2 kJ mol-1, while at the higher Ec of 25.9 kJ mol-1 only a qualitative agreement was noted. In all cases, the comparison was significantly improved with respect to QCT calculations on a previous version of the ground state PES." @default.
- W2017293354 created "2016-06-24" @default.
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- W2017293354 date "2005-07-01" @default.
- W2017293354 modified "2023-10-03" @default.
- W2017293354 title "Dynamics of the O(1D) D2 reaction: A comparison between crossed molecular beam experiments and quasiclassical trajectory calculations on the lowest three potential energy surfaces" @default.
- W2017293354 cites W1486280273 @default.
- W2017293354 cites W1501300664 @default.
- W2017293354 cites W1516121243 @default.
- W2017293354 cites W1588125747 @default.
- W2017293354 cites W1666338913 @default.
- W2017293354 cites W1677067086 @default.
- W2017293354 cites W1874197358 @default.
- W2017293354 cites W1966415304 @default.
- W2017293354 cites W1967349275 @default.
- W2017293354 cites W1973300338 @default.
- W2017293354 cites W1975425175 @default.
- W2017293354 cites W1977771571 @default.
- W2017293354 cites W1978635239 @default.
- W2017293354 cites W1979346944 @default.
- W2017293354 cites W1980835413 @default.
- W2017293354 cites W1981730782 @default.
- W2017293354 cites W1983213257 @default.
- W2017293354 cites W1986272596 @default.
- W2017293354 cites W1990224625 @default.
- W2017293354 cites W1995217383 @default.
- W2017293354 cites W1995317201 @default.
- W2017293354 cites W1997946497 @default.
- W2017293354 cites W2001137695 @default.
- W2017293354 cites W2003870098 @default.
- W2017293354 cites W2004426390 @default.
- W2017293354 cites W2005507860 @default.
- W2017293354 cites W2006021963 @default.
- W2017293354 cites W2007755430 @default.
- W2017293354 cites W2007930450 @default.
- W2017293354 cites W2008206419 @default.
- W2017293354 cites W2008445266 @default.
- W2017293354 cites W2012413053 @default.
- W2017293354 cites W2012565937 @default.
- W2017293354 cites W2019422245 @default.
- W2017293354 cites W2026757539 @default.
- W2017293354 cites W2031884049 @default.
- W2017293354 cites W2034879583 @default.
- W2017293354 cites W2039471082 @default.
- W2017293354 cites W2040015881 @default.
- W2017293354 cites W2043100531 @default.
- W2017293354 cites W2047084464 @default.
- W2017293354 cites W2050265108 @default.
- W2017293354 cites W2051594501 @default.
- W2017293354 cites W2053501273 @default.
- W2017293354 cites W2054095553 @default.
- W2017293354 cites W2054421256 @default.
- W2017293354 cites W2055016354 @default.
- W2017293354 cites W2056749684 @default.
- W2017293354 cites W2058909324 @default.
- W2017293354 cites W2060122070 @default.
- W2017293354 cites W2062616341 @default.
- W2017293354 cites W2071345921 @default.
- W2017293354 cites W2072411508 @default.
- W2017293354 cites W2077867421 @default.
- W2017293354 cites W2081886261 @default.
- W2017293354 cites W2082673162 @default.
- W2017293354 cites W2083960989 @default.
- W2017293354 cites W2083962239 @default.
- W2017293354 cites W2084579665 @default.
- W2017293354 cites W2085566430 @default.
- W2017293354 cites W2087707778 @default.
- W2017293354 cites W2087885255 @default.
- W2017293354 cites W2093213821 @default.
- W2017293354 cites W2094065552 @default.
- W2017293354 cites W2098173702 @default.
- W2017293354 cites W2103218982 @default.
- W2017293354 cites W2115033122 @default.
- W2017293354 cites W2117414973 @default.
- W2017293354 cites W2125092837 @default.
- W2017293354 cites W2127658784 @default.
- W2017293354 cites W2128109859 @default.
- W2017293354 cites W2133505680 @default.
- W2017293354 cites W2602143054 @default.
- W2017293354 cites W4236040078 @default.
- W2017293354 cites W4244637082 @default.
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- W2017293354 doi "https://doi.org/10.1080/149920500058077" @default.
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