Reaction Path Description and Internal-Mode Dynamics of Molecular
Rearrangement in HO2
Keyword(s):
After brief general remarks and definitions for the reaction path concept in view of formulating physically transparent and computationally feasible theoretical models, the HO2 system is studied for both the bimolecular exchange reaction and the intramolecular H transfer (isomerization). The analysis includes potential energy surface topography, reaction profiles and internal-mode dynamics.
1972 ◽
Vol 56
(5)
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pp. 2092-2101
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1994 ◽
Vol 49
(2)
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pp. 105-127
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1988 ◽
Vol 92
(11)
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pp. 3190-3195
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2015 ◽
Vol 32
(1)
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pp. 013101
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2016 ◽
Vol 18
(5)
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pp. 4008-4018
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2003 ◽
Vol 02
(03)
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pp. 385-417
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2001 ◽
Vol 22
(4)
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pp. 387-406
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2017 ◽
Vol 11
(1)
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pp. 1-8
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