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Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F
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October 1983 |
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Basic nitrogen-heterocyclic compounds in the Murchison meteorite
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March 1982 |
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A fifth-order perturbation comparison of electron correlation theories
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May 1989 |
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Evidence that polycyclic aromatic hydrocarbons in two carbonaceous chondrites predate parent-body formation
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April 2003 |
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Astronomical searches for nitrogen heterocycles
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January 2005 |
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A crossed beam and ab initio study of the C2(X1Σg+ /a3∏u)+C2H2(X1Σg+) reactions
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November 2003 |
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On the formation of ethynylbiphenyl (C14D5H5; C6D5C6H4CCH) isomers in the reaction of D5-phenyl radicals (C6D5; X2A1) with phenylacetylene (C6H5C2H; X1A1) under single collision conditions
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March 2014 |
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Extraterrestrial nucleobases in the Murchison meteorite
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June 2008 |
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Nitrogen-containing compounds in two CR2 meteorites: 15N composition, molecular distribution and precursor molecules
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April 2009 |
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Investigation of pyridine carboxylic acids in CM2 carbonaceous chondrites: Potential precursor molecules for ancient coenzymes
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July 2014 |
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Molecular Reaction Dynamics
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January 2005 |
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Hydrogen Abstraction Acetylene Addition and Diels−Alder Mechanisms of PAH Formation: A Detailed Study Using First Principles Calculations
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September 2005 |
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Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches
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March 2015 |
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Potential Purine Antagonists. XV. Preparation of Some 6,8-Disubstituted Purines 1
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December 1958 |
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How Well Can Hybrid Density Functional Methods Predict Transition State Geometries and Barrier Heights?
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April 2001 |
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Formation of Three C 4 H 3 N Isomers from the Reaction of CN (X 2 Σ + ) with Allene, H 2 CCCH 2 (X 1 A 1 ), and Methylacetylene, CH 3 CCH (X 1 A 1 ): A Combined Crossed Beam and Ab Initio Study
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May 2002 |
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A Combined Crossed Molecular Beam and ab Initio Study of the Reactions C 2 (X 1 ∑ g + , a 3 Π u ) + C 2 H 4 → n -C 4 H 3 (X 2 A‘) + H( 2 S 1/2 )
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November 2001 |
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PAH Formation under Single Collision Conditions: Reaction of Phenyl Radical and 1,3-Butadiene to Form 1,4-Dihydronaphthalene
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April 2012 |
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An Experimental and Theoretical Study on the Formation of 2-Methylnaphthalene (C 11 H 10 /C 11 H 3 D 7 ) in the Reactions of the Para-Tolyl (C 7 H 7 ) and Para-Tolyl-d7 (C 7 D 7 ) with Vinylacetylene (C 4 H 4 )
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April 2014 |
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Formation of 6-Methyl-1,4-dihydronaphthalene in the Reaction of the p -Tolyl Radical with 1,3-Butadiene under Single-Collision Conditions
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October 2014 |
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A VUV photoionization study of the multichannel reaction of phenyl radicals with 1,3-butadiene under combustion relevant conditions
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January 2013 |
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Infrared and reflectron time-of-flight mass spectroscopic study on the synthesis of glycolaldehyde in methanol (CH 3 OH) and methanol–carbon monoxide (CH 3 OH–CO) ices exposed to ionization radiation
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January 2014 |
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Reaction dynamics of the 4-methylphenyl radical (C 6 H 4 CH 3 ; p-tolyl) with isoprene (C 5 H 8 ) – formation of dimethyldihydronaphthalenes
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January 2014 |
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A crossed molecular beam and ab initio study on the formation of 5- and 6-methyl-1,4-dihydronaphthalene (C 11 H 12 ) via the reaction of meta-tolyl (C 7 H 7 ) with 1,3-butadiene (C 4 H 6 )
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January 2015 |
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A combined crossed molecular beam and theoretical investigation of the reaction of the meta-tolyl radical with vinylacetylene – toward the formation of methylnaphthalenes
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January 2015 |
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Carbon molecules in space: from astrochemistry to astrobiology
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January 2006 |
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Advances in methods and algorithms in a modern quantum chemistry program package
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January 2006 |
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Untangling the chemical evolution of Titan's atmosphere and surface–from homogeneous to heterogeneous chemistry
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January 2010 |
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On the formation of phenyldiacetylene (C6H5CCCCH) and D5-phenyldiacetylene (C6D5CCCCH) studied under single collision conditions
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January 2012 |
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A search for interstellar pyrimidine
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October 2003 |
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Formation and photostability of N-heterocycles in space: I. The effect of nitrogen on the photostability of small aromatic molecules
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March 2005 |
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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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Carbonaceous meteorites contain a wide range of extraterrestrial nucleobases
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August 2011 |
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Low temperature formation of naphthalene and its role in the synthesis of PAHs (Polycyclic Aromatic Hydrocarbons) in the interstellar medium
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December 2011 |
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The MP2 binding energy of the ethene dimer and its dependence on the auxiliary basis sets: a benchmark study using a newly developed infrastructure for the processing of quantum chemical data
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April 2012 |
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Formation of polycyclic aromatic hydrocarbons in circumstellar envelopes
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June 1989 |
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Detection of Interstellar Cyanoacetylene
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January 1971 |
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The detection of interstellar vinyl cyanide /acrylonitrile/
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January 1975 |
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Variations in the Peak Position of the 6.2 μm Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population
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The Infrared Spectrum of Protonated Naphthalene and its Relevance for the Unidentified Infrared Bands
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August 2009 |
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Infrared Spectra of Isolated Protonated Polycyclic Aromatic Hydrocarbon Molecules
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October 2009 |
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The Photochemistry of Pyrimidine in Realistic Astrophysical ices and the Production of Nucleobases
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September 2014 |
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Gas Phase Synthesis of (Iso)Quinoline and its role in the Formation of Nucleobases in the Interstellar Medium
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April 2015 |
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Formation of Uracil from the Ultraviolet Photo-Irradiation of Pyrimidine in Pure H 2 O Ices
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September 2009 |
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
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UV Irradiation of Polycyclic Aromatic Hydrocarbons in Ices: Production of Alcohols, Quinones, and Ethers
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February 1999 |
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Complex Organic Interstellar Molecules
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September 2009 |
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Reaction Dynamics in Astrochemistry: Low-Temperature Pathways to Polycyclic Aromatic Hydrocarbons in the Interstellar Medium
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April 2015 |
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A New Component of the Interstellar Matter: Small Grains and Large Aromatic Molecules
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September 1989 |
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Interstellar Polycyclic Aromatic Hydrocarbon Molecules
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