Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms.

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Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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Reaction kinetics of hydrogen ...... matic hydrocarbons by H atoms.

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Reaction kinetics of hydrogen ...... matic hydrocarbons by H atoms.

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Reaction kinetics of hydrogen ...... matic hydrocarbons by H atoms.

@en

Reaction kinetics of hydrogen ...... matic hydrocarbons by H atoms.

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Reaction kinetics of hydrogen ...... matic hydrocarbons by H atoms.

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Reaction kinetics of hydrogen ...... matic hydrocarbons by H atoms.

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P1476

Reaction kinetics of hydrogen ...... omatic hydrocarbons by H atoms

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P2093

Dingyu Hou

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P2860

Development of density functionals for thermochemical kinetics

High-level ab initio studies of hydrogen abstraction from prototype hydrocarbon systems.

Thermochemistry and kinetics of hydrogen abstraction by methyl radical from polycyclic aromatic hydrocarbons.

Hydrogen Abstraction Acetylene Addition and Diels-Alder Mechanisms of PAH Formation: A Detailed Study Using First Principles Calculations.

Detailed kinetic Monte Carlo simulations of graphene-edge growth.

A DFT-based investigation of hydrogen abstraction reactions from methylated polycyclic aromatic hydrocarbons.

Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure Methods.

How reliable is DFT in predicting relative energies of polycyclic aromatic hydrocarbon isomers? comparison of functionals from different rungs of jacob's ladder.

An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene.

Role of Carbon-Addition and Hydrogen-Migration Reactions in Soot Surface Growth.

P304

30772-30780

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P31

scholarly article

P356

10.1039/C7CP04964A

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P407

English

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P478

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P50

Xiaoqing You

P577

2017-11-01T00:00:00Z

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P698

29134219

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