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Letter

First published 2017-2

Nudged elastic band method and density functional theory calculation for finding a local minimum energy pathway of p -benzoquinone and phenol fragmentation in mass spectrometry

Natsuhiko Sugimura, Yoko Igarashi, Reiko Aoyama [...]

European Journal of Mass Spectrometry

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Research article

First published 2010-12

Thermodynamics and Dynamic Kinetics of the Oxidation of Selenomethionine to Methionine Selenoxide: A Dft Study

Qingyang Liu, Yiling Bei

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2022-07-12

A detailed kinetic study on the tautomerization reactions of barbituric acid: A combined DFT-QTAIM analysis

Narjes Hajali, Afshin Taghva Manesh, Ahmad Seif

Main Group Chemistry

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Research article

First published 2017-12

Theoretical Investigation of the Kinetic Effect of the 1-Ethylpyridinium Trifluoroacetate Ionic Liquid in the Acceleration of Diels–Alder Reactions of Isoprene with Acrylic Acid and Acrylonitrile

Hafida Chemouri, Sidi Mohamed Mekelleche

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2013-9

A Theoretical Study of the Mechanism and Kinetics of the Thermal Decomposition of Carbamoyl Azide

Adel Reisi-Vanani, Mohammad Izadyar

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2015-1

A Computational Study of the Mechanism and Kinetics for Gas-Phase Decomposition and Reactivity of the C 4 F 9 OCH 2 O Radical between 200 and 400 K

Adel Reisi-Vanani, Sajedin Hoseinpour

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2014-9

1,3-Dipolar Cycloaddition Reactions between Ethyl Diazoacetate and Substituted Alkynes: A Density Functional Theory Study

Javad Tajabadi, Mehdi Bakavoli, Mostafa Gholizadeh [...]

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2017-5

A Theoretical Investigation of the Decomposition and Reactivity of the CHF 2 CF 2 CF 2 OCH 2 O• Radical from HFE-356pcc3 between 200 and 400 K

Sajedin Hoseinpour, Hossein Izadi-Vasafi, Mona Azimi [...]

Progress in Reaction Kinetics and Mechanism

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Research article

First published 2004-12

CH 4 Loss from (CH 3 ) 4 N + Revisited: How Does This High Energy Elimination Compete with • CH 3 Loss?

Charles E. Hudson, Lawrence L. Griffin, David J. McAdoo

European Journal of Mass Spectrometry

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