Infrared Spectra of Carbon Monoxide in an Argon Matrix
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April 1964 |
Ab initio quantum-chemical study of the unimolecular pyrolysis mechanisms of formic acid
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February 1986 |
The thermal decomposition of propionic acid
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January 1966 |
Comparison of Unimolecular Decomposition Pathways for Carboxylic Acids of Relevance to Biofuels
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December 2013 |
Dehydration mechanisms in the thermal decomposition of gaseous formic acid
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January 1971 |
The properties of a micro-reactor for the study of the unimolecular decomposition of large molecules
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September 2014 |
Ab initio total atomization energies of small molecules — towards the basis set limit
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September 1996 |
Analysis of acetic acid gas phase reactivity: Rate constant estimation and kinetic simulations
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January 2019 |
High temperature kinetics of the thermal decomposition of the lower alkanoic acids
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May 1986 |
Ionization from a double bond: Rovibronic photoionization dynamics of ethylene, large amplitude torsional motion and vibronic coupling in the ground state of C2H4+
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January 2004 |
Proceeding on the riddles of ketene pyrolysis by applying ab initio quantum chemical computational methods in a detailed kinetic modeling study
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January 2021 |
Theoretical Chemical Kinetic Study of the H-Atom Abstraction Reactions from Aldehydes and Acids by Ḣ Atoms and ȮH, HȮ 2 , and ĊH 3 Radicals
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October 2014 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
Thermal decomposition of ethyl acetate. Branching ratio of the competing paths in the pyrolysis of the produced acetic acid
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July 1990 |
Bimolecular Decomposition Pathways for Carboxylic Acids of Relevance to Biofuels
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January 2015 |
Theoretical Investigation of Competing Mechanisms in the Thermal Unimolecular Decomposition of Acetic Acid and the Hydration Reaction of Ketene
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May 1995 |
A theoretical study of the bifurcation reaction II: acetic acid
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April 2002 |
A first evaluation of butanoic and pentanoic acid oxidation kinetics
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October 2019 |
Characterizing the fuel-specific combustion chemistry of acetic acid and propanoic acid: Laminar flame propagation and kinetic modeling studies
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January 2021 |
A comprehensive theoretical examination of primary dissociation pathways of formic acid
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January 1992 |
Anharmonic effect of the unimolecular dissociation of CH3COOH
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May 2014 |
A fifth-order perturbation comparison of electron correlation theories
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May 1989 |
Unimolecular decomposition of methyl ketene and its dimer in the gas phase: theory and experiment
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January 2020 |
The Path Forward for Biofuels and Biomaterials
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January 2006 |
Accurate Calculations of Rate Constants for the Forward and Reverse H2
O + CO ↔ HCOOH Reactions
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August 2017 |
The decarboxylation and dehydration reactions of monomeric formic acid
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January 1992 |
Laminar Burning Velocities of C 4 –C 7 Ethyl Esters in a Spherical Combustion Chamber: Experimental and Detailed Kinetic Modeling
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October 2012 |
A theoretical study of the bifurcation reaction of formic acid: dynamics around the intrinsic reaction coordinate
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July 2001 |
Psi4: an open-source ab initio electronic structure program : Psi4: an electronic structure program
- Turney, Justin M.; Simmonett, Andrew C.; Parrish, Robert M.
-
Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 4
https://doi.org/10.1002/wcms.93
|
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October 2011 |
High-temperature kinetics of thermal decomposition of acetic acid and its products
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May 1984 |
Isomerization and Fragmentation of Cyclohexanone in a Heated Micro-Reactor
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December 2015 |
The decomposition of formic acid vapor by infrared radiation from a pulsed HF-laser
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August 1977 |
A comparative study of the chemical kinetics of methyl and ethyl propanoate
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October 2014 |
Thermal unimolecular decomposition of formic acid
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May 1984 |
Experimental and modeling efforts towards a better understanding of the high-temperature combustion kinetics of C3C5 ethyl esters
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November 2017 |
The products of the thermal decomposition of CH 3 CHO
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July 2011 |
High resolution photoelectron spectroscopy and femtosecond intramolecular dynamics of H 2 CO + and D 2 CO +
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March 1993 |
Theoretical Study of the Thermal Decomposition of Acetic Acid: Decarboxylation Versus Dehydration
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August 1995 |
Laminar burning velocity of acetic acid + air flames
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August 2016 |
Detection of the keto-enol tautomerization in acetaldehyde, acetone, cyclohexanone, and methyl vinyl ketone with a novel VUV light source
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January 2021 |
A jet-stirred reactor and kinetic modeling study of ethyl propanoate oxidation
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January 2009 |
An experimental and kinetic modelling study of n-C4C6 aldehydes oxidation in a jet-stirred reactor
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January 2019 |
High resolution UV photoelectron spectroscopy of CO+2, COS+ and CS+2 using supersonic molecular beams
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January 1988 |
Rotationally resolved threshold photoelectron spectrum of the methyl radical
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February 1993 |
Absolute Rate Coefficient of the OH + CH3C(O)OH Reaction at T = 287−802 K. The Two Faces of Pre-reactive H-Bonding
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November 2006 |
Gasphasen-Reaktionen, 21. Thermische Erzeugung von Alkyl- und Halogenketenen
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July 1981 |
Valence Ionization Energies of Hydrocarbons
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November 1977 |
Thermal decomposition of formic acid at high temperatures in shock waves
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January 1982 |
Laser isotope separation and the multiphoton dissociation of formic acid using a pulsed HF laser
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July 1978 |
Ab initio molecular dynamics study on the thermal dissociation of acetic acid
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December 1999 |
Photoabsorption measurements and theoretical calculations of the electronic state spectroscopy of propionic, butyric, and valeric acids
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January 2009 |
New reaction classes in the kinetic modeling of low temperature oxidation of n-alkanes
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May 2015 |
Unimolecular Decomposition of Formic Acid in the Gas PhaseOn the Ratio of the Competing Reaction Channels
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June 2005 |
From the Multiple-Well Master Equation to Phenomenological Rate Coefficients: Reactions on a C 3 H 4 Potential Energy Surface
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April 2003 |
Numerical and experimental study of the combustion of acetic acid in laminar premixed flames
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February 2012 |
Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions
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May 2013 |
Ab initio quantum-chemical study of the unimolecular pyrolysis mechanisms of acetic acid
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December 1986 |
The bimolecular pyrolysis of acetic acid: an ab initio study
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September 1997 |
Photoelectron spectroscopic detection of vinyl alcohol, CH2CHOH: evidence for the syn and anti rotamers
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January 1989 |
Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels: Ethyl Propanoate and Methyl Butanoate †
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May 2007 |
Benchmarking State-of-the-Art ab Initio Thermochemical Predictions with Accurate Pulsed-Field Ionization Photoion−Photoelectron Measurements
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November 2006 |
On the dimerization of carbon dioxide in nitrogen and argon matrices
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December 1974 |
Unimolecular decomposition of formic and acetic acids: A shock tube/laser absorption study
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January 2015 |
Experimental and Modeling Study of C 5 H 10 O 2 Ethyl and Methyl Esters †
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May 2007 |
Homogeneous decomposition of gaseous formic acid induced by a carbon dioxide laser
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June 1976 |
Computational Study on the Kinetics and Mechanisms for the Unimolecular Decomposition of Formic and Oxalic Acids †
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July 2007 |
Study of the bimolecular pyrolysis of acetic acid by the Austin Model 1 semi-empirical method
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February 1995 |