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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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July 2007 |
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Rate constants for the reactions of CN with hydrocarbons at low and ultra-low temperatures
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August 1993 |
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Formation mechanisms of aromatic compounds in aliphatic flames
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April 1984 |
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Kinetic and thermodynamic issues in the formation of aromatic compounds in flames of aliphatic fuels
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October 1992 |
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Simple models for the calculation of photoionization and electron impact ionization cross sections of polyatomic molecules
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January 1994 |
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Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Laminar Premixed n-Butane Flame
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July 1998 |
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Reactions of ethynyl radicals as a source of C4 and C5 hydrocarbons in Titan's atmosphere
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June 2002 |
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A comprehensive chemical kinetic combustion model for the four butanol isomers
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June 2012 |
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An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with 1,2-butadiene
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December 2011 |
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Photoionization cross sections for reaction intermediates in hydrocarbon combustion
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December 2005 |
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Kinetic modeling of gasoline surrogate components and mixtures under engine conditions
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January 2011 |
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Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
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February 2009 |
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Forming benzene in flames by chemically activated isomerization
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December 1989 |
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The 213.8-nm photochemistry of gaseous 1,3-butadiene and the structure of some C3H3 radicals
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January 1990 |
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Reaction mechanism of the homogeneous thermal decomposition of acetylene
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February 1980 |
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Vacuum-ultraviolet photolysis of the C4H6 isomers. I. 1,3-Butadiene
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November 1968 |
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Photofragment Translational Spectroscopy of 1,3-Butadiene and 1,3-Butadiene-1,1,4,4- d 4 at 193 nm
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The Recombination of Propargyl Radicals and Other Reactions on a C 6 H 6 Potential
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October 2003 |
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Pressure and Temperature Effects on Product Channels of the Propargyl (HC⋮CCH 2 ) Combination Reaction and the Formation of the “First Ring”
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November 2003 |
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Isomeric Product Distributions from the Self-Reaction of Propargyl Radicals
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July 2005 |
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Photochemical and Discharge-Driven Pathways to Aromatic Products from 1,3-Butadiene
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November 2007 |
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Reactions of C 2 H with 1- and 2-Butynes: An Ab Initio/RRKM Study of the Reaction Mechanism and Product Branching Ratios
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March 2011 |
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Bimolecular Rate Constant and Product Branching Ratio Measurements for the Reaction of C 2 H with Ethene and Propene at 79 K
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April 2012 |
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Reaction Rate and Isomer-Specific Product Branching Ratios of C 2 H + C 4 H 8 : 1-Butene, cis -2-Butene, trans -2-Butene, and Isobutene at 79 K
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June 2013 |
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Reaction of the C 2 H Radical with 1-Butyne (C 4 H 6 ): Low-Temperature Kinetics and Isomer-Specific Product Detection †
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March 2010 |
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Mechanisms for the formation of benzene in the atmosphere of Titan: FORMATION OF BENZENE IN TITAN'S ATMOSPHERE
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February 2003 |
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Current state of modeling the photochemistry of Titan's mutually dependent atmosphere and ionosphere
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January 2004 |
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Formation and distribution of benzene on Titan
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January 2008 |
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Direct detection of polyynes formation from the reaction of ethynyl radical (C 2 H) with propyne (CH 3 –CCH) and allene (CH 2 CCH 2 )
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January 2007 |
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255. The oxidation of chloroacetylene and bromoacetylene
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January 1938 |
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Reactions of the ethynyl radical. Part 1.—Hydrogen abstraction from alkanes
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January 1965 |
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Reactions of the ethynyl radical. Part 2.—With alkenes
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January 1966 |
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Neutral–neutral reactions at the temperatures of interstellar clouds Rate coefficients for reactions of C2H radicals with O2, C2H2, C2H4 and C3H6 down to 15 K
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A crossed molecular beams study of the reaction of the ethynyl radical (C2H(X2Σ+)) with allene (H2CCCH2(X1A1))
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January 2009 |
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Direct detection of pyridine formation by the reaction of CH (CD) with pyrrole: a ring expansion reaction
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January 2010 |
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The association reaction between C2H and 1-butyne: a computational chemical kinetics study
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January 2011 |
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Detection of pentatetraene by reaction of the ethynyl radical (C2H) with allene (CH2CCH2) at room temperature
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January 2011 |
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The chemistry of protoplanetary nebulae
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April 2003 |
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Mass‐Spectrometric Investigation of the Primary Processes in the Photodissociation of 1,3‐Butadiene
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January 1968 |
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The Dipole Moments of Fulvene and Azulene
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March 1949 |
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The multiplexed chemical kinetic photoionization mass spectrometer: A new approach to isomer-resolved chemical kinetics
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October 2008 |
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Airfoil sampling of a pulsed Laval beam with tunable vacuum ultraviolet synchrotron ionization quadrupole mass spectrometry: Application to low-temperature kinetics and product detection
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December 2011 |
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Absolute photoionization cross-section of the propargyl radical
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April 2012 |
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Photoionization of CH 3 OH, CD 3 OH, and CH 3 OD: Dissociative ionization mechanisms and ionic structures
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October 1978 |
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A complete basis set model chemistry. V. Extensions to six or more heavy atoms
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A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
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February 1999 |
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A complete basis set model chemistry. VII. Use of the minimum population localization method
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April 2000 |
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The chemistry in circumstellar envelopes of evolved stars: Following the origin of the elements to the origin of life
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August 2006 |
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Formation of benzene in the interstellar medium
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December 2010 |
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Probing ultrafast dynamics with time-resolved multi-dimensional coincidence imaging: butadiene
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October 2013 |
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The ethynyl radical C2H - A new interstellar molecule
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October 1974 |
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Formation of Nitriles in the Interstellar Medium via Reactions of Cyano Radicals, CN( X 2 Σ + ), with Unsaturated Hydrocarbons
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[ITAL]Infrared Space Observatory's[/ITAL] Discovery of C[TINF]4[/TINF]H[TINF]2[/TINF], C[TINF]6[/TINF]H[TINF]2[/TINF], and Benzene in CRL 618
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January 2001 |
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Ethynyl (C 2 H) in Massive Star formation: Tracing the Initial Conditions?
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February 2008 |
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The Abundances of Polyacetylenes Toward Crl618
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January 2011 |
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A CROSSED MOLECULAR BEAM, LOW-TEMPERATURE KINETICS, AND THEORETICAL INVESTIGATION OF THE REACTION OF THE CYANO RADICAL (CN) WITH 1,3-BUTADIENE (C 4 H 6 ). A ROUTE TO COMPLEX NITROGEN-BEARING MOLECULES IN LOW-TEMPERATURE EXTRATERRESTRIAL ENVIRONMENTS
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November 2011 |
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The rich Circumstellar Chemistry of smp lmc 11
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December 2011 |
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Chemistry of Molecular Growth Processes in Flames
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June 1987 |
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Exploring formation pathways of aromatic compounds in laboratory-based model flames of aliphatic fuels
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