An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: applications to the abstraction of hydrogen from alkanes.
about
A reduced dimensionality quantum mechanical study of the H + HCF3 ↔ H2 + CF3 reaction.Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfaces.Recent advances in quantum scattering calculations on polyatomic bimolecular reactions.Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension.An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.Quantum effects in the abstraction reaction by H atoms of primary and secondary hydrogens in n-C4H10: a test of a new potential energy surface construction method
P2860
An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: applications to the abstraction of hydrogen from alkanes.
description
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name
An efficient route to thermal ...... tion of hydrogen from alkanes.
@en
An efficient route to thermal ...... tion of hydrogen from alkanes.
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type
label
An efficient route to thermal ...... tion of hydrogen from alkanes.
@en
An efficient route to thermal ...... tion of hydrogen from alkanes.
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prefLabel
An efficient route to thermal ...... tion of hydrogen from alkanes.
@en
An efficient route to thermal ...... tion of hydrogen from alkanes.
@nl
P2093
P2860
P356
P1476
An efficient route to thermal ...... tion of hydrogen from alkanes.
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P2093
H F von Horsten
P2860
P304
P356
10.1063/1.3625960
P407
P577
2011-09-01T00:00:00Z