Publications by authors named "Henry Curran"

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Exploring the Ab Initio Kinetics of Trimethyl Phosphite.
Frederick Nii Ofei Bruce, Xin Wang, Xin Bai, Yinjun Chen, Mingjie Wen, Henry Curran

J Phys Chem A· December 2025

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The Gas Phase Thermochemistry and the Hydrogen Atom Abstraction Reactions of Trimethyl Phosphite.
Frederick Nii Ofei Bruce, Xin Bai, Siyu Cheng, Xin Wang, Fei Qin, Henry Curran

J Phys Chem A· November 2025

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Prediction of the Thermochemical Properties of Nitrogen-Containing Species: A Quantum Chemical Calculation and Group Additivity Approach.
Xin Wang, Frederick Nii Ofei Bruce, Xuan Ren, Siyu Cheng, Yinjun Chen, Henry J Curran

J Phys Chem A· August 2025

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Kinetic Properties Study of H Atom Abstraction by CHȮ Radicals from Fuel Molecules with Different Functional Groups.
Hao-Ting Guo, Yan Tang, Sheng-Han Liu, Yang Ma, Shen Fang, Henry J Curran

J Phys Chem A· March 2023

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Experimental and Updated Kinetic Modeling Study of Neopentane Low Temperature Oxidation.
Bingzhi Liu, Shijun Dong, Janney Debleza, Weiye Chen, Qiang Xu, Henry J Curran

J Phys Chem A· March 2023

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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, Kieran P Somers, Henry J Curran

J Phys Chem A· February 2023

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Pyridinium-Inspired Organocatalysts for Carbon Dioxide Fixation: A Density Functional Theory Inspection.
Morad M El-Hendawy, Ibtesam M Desoky, Mahmoud M A Mohamed, Henry J Curran

J Phys Chem A· January 2023

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Hierarchical Study of the Reactions of Hydrogen Atoms with Alkenes: A Theoretical Study of the Reactions of Hydrogen Atoms with C-C Alkenes.
Jennifer Power, Kieran P Somers, Shashank S Nagaraja, Henry J Curran

J Phys Chem A· June 2021

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Hindered rotor benchmarks for the transition states of free radical additions to unsaturated hydrocarbons.
Yanjin Sun, Kieran P Somers, Quan-De Wang, Caoimhe Farrell, Henry J Curran

Phys Chem Chem Phys· December 2020

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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, Weronika Wyrebak, Henry J Curran

J Phys Chem A· December 2020

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An ab Initio/Transition State Theory Study of the Reactions of ĊH 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, Henry J Curran

J Phys Chem A· June 2020

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Theoretical, Experimental, and Modeling Study of the Reaction of Hydrogen Atoms with 1- and 2-Pentene.
Jennifer Power, Kieran P Somers, Chong-Wen Zhou, Sebastian Peukert, Henry J Curran

J Phys Chem A· October 2019

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Ab Initio/Transition-State Theory Study of the Reactions of ĊH 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, Henry J Curran

J Phys Chem A· October 2019

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Extensive Theoretical Study of the Thermochemical Properties of Unsaturated Hydrocarbons and Allylic and Super-Allylic Radicals: The Development and Optimization of Group Additivity Values.
Yang Li, Henry J Curran

J Phys Chem A· May 2018

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Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the ĊH Potential Energy Surface.
Yang Li, Stephen J Klippenstein, Chong-Wen Zhou, Henry J Curran

J Phys Chem A· October 2017

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Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by O; Implications for Combustion Modeling and Simulation.
Chong-Wen Zhou, John M Simmie, Kieran P Somers, C Franklin Goldsmith, Henry J Curran

J Phys Chem A· March 2017

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Modeling Nitrogen Species as Pollutants: Thermochemical Influences.
John Bugler, Kieran P Somers, John M Simmie, Felix Güthe, Henry J Curran

J Phys Chem A· September 2016

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Toward the Development of a Fundamentally Based Chemical Model for Cyclopentanone: High-Pressure-Limit Rate Constants for H Atom Abstraction and Fuel Radical Decomposition.
Chong-Wen Zhou, John M Simmie, William J Pitz, Henry J Curran

J Phys Chem A· September 2016

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Development of a Joint Hydrogen and Syngas Combustion Mechanism Based on an Optimization Approach.
Tamás Varga, Carsten Olm, Tibor Nagy, István Gy Zsély, Éva Valkó, Henry J Curran

Int J Chem Kinet· August 2016

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Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetics, and Rate Rule Optimizations for 2-Methylhexane.
Samah Y Mohamed, Liming Cai, Fethi Khaled, Colin Banyon, Zhandong Wang, Henry J Curran

J Phys Chem A· April 2016

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Revisiting the Kinetics and Thermodynamics of the Low-Temperature Oxidation Pathways of Alkanes: A Case Study of the Three Pentane Isomers.
John Bugler, Kieran P Somers, Emma J Silke, Henry J Curran

J Phys Chem A· July 2015

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Experimental and Kinetic Modeling Study of 2-Methyl-2-Butene: Allylic Hydrocarbon Kinetics.
Charles K Westbrook, William J Pitz, Marco Mehl, Pierre-Alexandre Glaude, Olivier Herbinet, Henry J Curran

J Phys Chem A· July 2015

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Theoretical chemical kinetic study of the H-atom abstraction reactions from aldehydes and acids by Ḣ atoms and ȮH, HȮ2, and ĊH3 radicals.
Jorge Mendes, Chong-Wen Zhou, Henry J Curran

J Phys Chem A· December 2014

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Theoretical study of the rate constants for the hydrogen atom abstraction reactions of esters with (•)OH radicals.
Jorge Mendes, Chong-Wen Zhou, Henry J Curran

J Phys Chem A· July 2014

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The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study.
Kieran P Somers, John M Simmie, Wayne K Metcalfe, Henry J Curran

Phys Chem Chem Phys· March 2014

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