Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for C(n)H(2n+2) where n = 2 --> 4.
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Chemically activated formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones.Automatic mechanism generation for pyrolysis of di-tert-butyl sulfide.Photo-induced β-elimination of 9-fluorenylmethanol leading to dibenzofulvene.Kinetics of radical-molecule reactions in aqueous solution: a benchmark study of the performance of density functional methods.A kinetic and thermochemical database for organic sulfur and oxygen compounds.Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO2reactions
P2860
Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for C(n)H(2n+2) where n = 2 --> 4.
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2008 nî lūn-bûn
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name
Accurate benchmark calculation ...... om methane. Implications for C
@nl
Accurate benchmark calculation ...... C(n)H(2n+2) where n = 2 --> 4.
@en
type
label
Accurate benchmark calculation ...... om methane. Implications for C
@nl
Accurate benchmark calculation ...... C(n)H(2n+2) where n = 2 --> 4.
@en
prefLabel
Accurate benchmark calculation ...... om methane. Implications for C
@nl
Accurate benchmark calculation ...... C(n)H(2n+2) where n = 2 --> 4.
@en
P356
P1476
Accurate benchmark calculation ...... C(n)H(2n+2) where n = 2 --> 4.
@en
P2093
John M Simmie
Jorge Aguilera-Iparraguirre
P304
P356
10.1021/JP8012464
P407
P577
2008-07-08T00:00:00Z