High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomi

High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomi

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http://www.wikidata.org/entity/Q57402039
Challenges in modelling the reaction chemistry of interstellar dust.Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature.Impact of tunneling on hydrogen-migration of the n-propylperoxy radical.Signatures of a quantum diffusion limited hydrogen atom tunneling reaction.Reactions of hydroxyalkyl radicals with cysteinyl peptides in a nanoESI plume.Infrared spectra of free radicals and protonated species produced in para-hydrogen matrices.A novel assessment of the role of the methyl radical and water formation channel in the CH3OH + H reaction.Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions.Kinetics for the hydrogen-abstraction of CH4 with NO2.Application of one-dimensional semiclassical transition state theory to the CH3OH + H ⇌ CH2OH/CH3O + H2 reactions.
P2860

High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomi

Item
http://www.wikidata.org/entity/Q57402039
description
article
@en
im März 2011 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в березні 2011
@uk
name
High-level direct-dynamics var ...... actions from methanol by atomi
@en
High-level direct-dynamics var ...... actions from methanol by atomi
@nl
type
label
High-level direct-dynamics var ...... actions from methanol by atomi
@en
High-level direct-dynamics var ...... actions from methanol by atomi
@nl
prefLabel
High-level direct-dynamics var ...... actions from methanol by atomi
@en
High-level direct-dynamics var ...... actions from methanol by atomi
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P356
P1433
P1476
High-level direct-dynamics var ...... om methanol by atomic hydrogen
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698