Reaction kinetics and implications of the decomposition and formation of C2H4O isomers

Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm

(2021) Daniel P. Zaleski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Detailed Chemical Kinetic Study of Acetaldehyde Oxidation and Its Interaction with NOx

(2021) Krishna Prasad Shrestha et al.   ENERGY & FUELS

A Free‐Radical Prompted Barrierless Gas‐Phase Synthesis of Pentacene

(2020) Long Zhao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ignition delay time and species measurement in a rapid compression machine: A case study on high-pressure oxidation of propane

(2019) Ajoy Ramalingam et al.   COMBUSTION AND FLAME

Acetaldehyde oxidation at low and intermediate temperatures: An experimental and kinetic modeling investigation

(2018) Xiaoyuan Zhang et al.   COMBUSTION AND FLAME

An updated reaction model for the high-temperature pyrolysis and oxidation of acetaldehyde

(2018) R. Mével et al.   FUEL

Theoretical Studies on the Kinetics of Multi-Channel Gas-Phase Unimolecular Decomposition of Acetaldehyde

(2017) Vahid Saheb et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Frequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite Protocols

(2016) Bun Chan et al.   Journal of Chemical Theory and Computation

Shock Tube Measurement for the Dissociation Rate Constant of Acetaldehyde Using Sensitive CO Diagnostics

(2016) Shengkai Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Resolving Some Paradoxes in the Thermal Decomposition Mechanism of Acetaldehyde

(2015) Raghu Sivaramakrishnan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Pressure-dependent branching in the reaction of 1 CH 2 with C 2 H 4 and other reactions on the C 3 H 6 potential energy surface

(2015) Lili Ye et al.   PROCEEDINGS OF THE COMBUSTION INSTITUTE

An experimental and modeling study of propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors

(2014) Sinéad M. Burke et al.   COMBUSTION AND FLAME

Experimental and Modeling Study of Premixed Laminar Flames of Ethanol and Methane

(2013) Luc-Sy Tran et al.   ENERGY & FUELS

Pyrolysis of furan in a microreactor

(2013) Kimberly N. Urness et al.   JOURNAL OF CHEMICAL PHYSICS

Fundamental phenomena affecting low temperature combustion and HCCI engines, high load limits and strategies for extending these limits

(2013) Samveg Saxena et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

A comprehensive chemical kinetic combustion model for the four butanol isomers

(2012) S. Mani Sarathy et al.   COMBUSTION AND FLAME

Experimental and Kinetic Modeling Study of n-Butanol Pyrolysis and Combustion

(2012) Jianghuai Cai et al.   ENERGY & FUELS

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Unimolecular decomposition mechanism of vinyl alcohol by computational study

(2010) Ju-Xiang Shao et al.   THEORETICAL CHEMISTRY ACCOUNTS

Minimally augmented Karlsruhe basis sets

(2010) Jingjing Zheng et al.   THEORETICAL CHEMISTRY ACCOUNTS

Direct Observation of Roaming Radicals in the Thermal Decomposition of Acetaldehyde

(2009) R. Sivaramakrishnan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Roaming Radical Kinetics in the Decomposition of Acetaldehyde

(2009) Lawrence B. Harding et al.   JOURNAL OF PHYSICAL CHEMISTRY A