Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects
2018 ◽
Vol 20
(6)
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pp. 3925-3938
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Keyword(s):
System P
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Within the Born–Oppenheimer approximation a full-dimensional analytical potential energy surface, PES-2017, was developed for the gas-phase hydrogen abstraction reaction between the chlorine atom and ethane, which is a nine body system.
2020 ◽
Vol 22
(26)
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pp. 14796-14810
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2019 ◽
Vol 21
(24)
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pp. 13347-13355
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2013 ◽
Vol 138
(21)
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pp. 214306
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2009 ◽
Vol 130
(18)
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pp. 184314
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2017 ◽
Vol 19
(29)
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pp. 19341-19351
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2014 ◽
Vol 16
(18)
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pp. 8428-8433
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2014 ◽
Vol 140
(6)
◽
pp. 064310
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2002 ◽
Vol 117
(5)
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pp. 2076-2086
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2002 ◽
Vol 116
(24)
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pp. 10664-10673
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