High level ab initio, DFT, and RRKM calculations for the unimolecular decomposition reaction of ethylamine-Reference-Cited by-同舟云学术

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High level ab initio, DFT, and RRKM calculations for the unimolecular decomposition reaction of ethylamine

Published:2014-07 Issue:4 Volume:5 Page:568-575
ISSN:1877-7503
Container-title:Journal of Computational Science
language:en
Short-container-title:Journal of Computational Science

Author:

Almatarneh Mansour H.,Altarawneh Mohammednoor,Poirier Raymond A.,Saraireh Ibrahim A.

Publisher

Elsevier BV

Subject

Modelling and Simulation,General Computer Science,Theoretical Computer Science

Reference47 articles.

1. Electron diffraction study of thermal decomposition products of trimethylamine: molecular structure of CH3NCH2;Fujiwara;J. Mol. Struct.,1995

2. Gas-phase chemistry of protonated ethylamine: a mass spectrometric and molecular orbital study;Bouchoux;J. Phys. Chem.,1996

3. Ab initio study of the deamination of formamidine;Almatarneh;Can. J. Chem.,2005

4. Computational study of the deamination reaction of cytosine with H2O and OH−;Almatarneh;J. Phys. Chem. A,2006

5. Mechanisms for the deamination reaction of cytosine with H2O/OH− and 2H2O/OH−: a computational study;Almatarneh;J. Chem. Info. Mod.,2008

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1. Low-Energy Electron Scattering from Ethyl Amine and Propyl Amine: A Comparative Study;The Journal of Physical Chemistry A;2024-08-08

2. Experimental and kinetic modeling study of iso-propylamine oxidation with SVUV-time of flight mass spectrometry;Combustion and Flame;2024-07

3. Theoretical Study on Ethylamine Dissociation Reactions Using VRC-VTST and SS-QRRK Methods;The Journal of Physical Chemistry A;2024-03-08

4. Insights into the role of the H-abstraction reaction kinetics of amines in understanding their degeneration fates under atmospheric and combustion conditions;Physical Chemistry Chemical Physics;2024

5. Modeling the kinetics of hydrogen abstraction reactions in nitrogen-containing compounds via group additivity;Physical Chemistry Chemical Physics;2024

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