Kieran P Somers

7PUBLICATIONS
11CO-AUTHORS
Radiation and matterChemical thermodynamics and energeticsTheoretical quantum chemistry
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Publications (7)

|Jan 25, 2023
High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method.

Sarah N Elliott, Murat Keçeli, Manik K Ghosh

|Jun 08, 2021
Hierarchical Study of the Reactions of Hydrogen Atoms with Alkenes: A Theoretical Study of the Reactions of Hydrogen Atoms with C2-C4 Alkenes.

Jennifer Power, Kieran P Somers, Shashank S Nagaraja

|Dec 15, 2020
Theoretical Study of the Reaction of Hydrogen Atoms with Three Pentene Isomers: 2-Methyl-1-butene, 2-Methyl-2-butene, and 3-Methyl-1-butene.

Jennifer Power, Kieran P Somers, Shashank S Nagaraja

|Aug 14, 2020
Snakes on the Rungs of Jacob's Ladder: Anomalous Vibrational Spectra from Double-Hybrid DFT Methods.

J M Simmie, K P Somers

|May 13, 2020
An ab Initio/Transition State Theory Study of the Reactions of Ċ5H9 Species of Relevance to 1,3-Pentadiene, Part II: Pressure Dependent Rate Constants and Implications for Combustion Modeling.

Yanjin Sun, Chong-Wen Zhou, Kieran P Somers

|Oct 01, 2019
Ab Initio/Transition-State Theory Study of the Reactions of Ċ5H9 Species of Relevance to 1,3-Pentadiene, Part I: Potential Energy Surfaces, Thermochemistry, and High-Pressure Limiting Rate Constants.

Yanjin Sun, Chong-Wen Zhou, Kieran P Somers

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Frequent Collaborators

6 joint publications

Henry J Curran

3 joint publications

Jennifer Power

2 joint publications

Yanjin Sun

1 joint publications

J M Simmie