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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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February 2011 |
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Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
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February 2015 |
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Cubic force constants and equilibrium geometry of methane from Hartree–Fock and correlated wavefunctions
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Interstellar detection of the highly polar five-membered ring cyanocyclopentadiene
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September 2020 |
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November 1974 |
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November 1977 |
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Accurate molecular structures of small‐ and medium‐sized molecules
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July 2016 |
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Semiexperimental Equilibrium Structures for Building Blocks of Organic and Biological Molecules: The B2PLYP Route
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May 2016 |
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March 2001 |
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Vibrational spectroscopy of triazoles and tetrazole
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September 2000 |
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Broadband rotational spectroscopy of acrylonitrile: Vibrational energies from perturbations
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October 2012 |
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Millimeter Wave Rotational Spectrum of HSSH and DSSD. II. Anomalous K Doubling Caused by Centrifugal Distortion in DSSD
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March 1972 |
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Experimental, semi-experimental and ab initio equilibrium structures
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December 2007 |
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The fitting and prediction of vibration-rotation spectra with spin interactions
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August 1991 |
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An addition-elimination mechanism for CH/CD exchange in thiazole
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January 1970 |
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Precise equilibrium structure determination of thiophene (c-C4H4S) by rotational spectroscopy—Structure of a five-membered heterocycle containing a third-row atom
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June 2021 |
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Centrifugal distortion analysis of the rotational spectrum of aziridine: Comparison of different Hamiltonians
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December 2010 |
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Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties
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February 2014 |
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The ground state rotational spectrum of H2Se: Weighted microwave-infrared analysis
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December 1975 |
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Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures
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May 2017 |
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Ubiquitous aromatic carbon chemistry at the earliest stages of star formation
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January 2021 |
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Die Röntgenstrukturanalyse von 1, 2, 4‐Triazol
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August 1965 |
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Determination of Centrifugal Distortion Coefficients of Asymmetric‐Top Molecules
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March 1967 |
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Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry
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February 2018 |
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Detection of the aromatic molecule benzonitrile ( c -C 6 H 5 CN) in the interstellar medium
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January 2018 |
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Latitudinal variations of HCN, HC3N, and C2N2 in Titan's stratosphere derived from Cassini CIRS data
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March 2006 |
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Quadrupole hyperfine structure of the microwave spectrum of 1,2,4-triazole and N-deuterotriazole
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August 1975 |
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Precise equilibrium structures of 1H- and 2H-1,2,3-triazoles (C2H3N3) by millimeter-wave spectroscopy
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August 2022 |
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The microwave spectrum and structure of 1,2,4-triazole
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August 1975 |
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Determination of Molecular Structure from Microwave Spectroscopic Data
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January 1953 |
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1,2,4‐Triazole: Vibrational spectra, normal coordinate calculations, and hydrogen bonding
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June 1976 |
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Breakdown of the reduction of the rovibrational Hamiltonian: The case of S18O2F2
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August 2009 |
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Centrifugal distortion analysis including P6-terms
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November 1976 |
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Extending the Millimeter/Submillimeter Wave Spectrum of Ground State Pyruvic Acid for Comparison to Astronomical Data
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February 2022 |
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Molecular structure determination: Equilibrium structure of pyrimidine ( m -C 4 H 4 N 2 ) from rotational spectroscopy ( r e SE ) and high-level ab initio calculation ( r e ) agree within the uncertainty of experimental measurement
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March 2020 |
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Quantum Chemical Determination of the Molecular Structure of 1,2,4-Triazole and the Calculation of its Infrared Spectrum
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April 2020 |
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Detection of two interstellar polycyclic aromatic hydrocarbons via spectral matched filtering
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March 2021 |
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Convergence of the reduced Hamiltonian with centrifugal distortion in asymmetric top molecules
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June 1973 |
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Precise equilibrium structure of thiazole (c-C3H3NS) from twenty-four isotopologues
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August 2021 |
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Analysis of Titan's neutral upper atmosphere from Cassini Ion Neutral Mass Spectrometer measurements
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April 2009 |
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Tautomerism of 1,2,3- and 1,2,4-triazole in the gas phase and in aqueous solution: a combined ab initio quantum mechanics and free energy perturbation study
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July 1990 |
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Detection of CH3C3N in Titan’s Atmosphere
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November 2020 |
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Quantum chemical studies of azoles 13. Specific solvation effect on the calculated energetic parameters of the electrophilic substitution mechanism in thiazole via elimination–addition schemes
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November 2018 |
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Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy
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June 2019 |
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Refinement of the crystal and molecular structure of 1,2,4-triazole (C2H3N3) at low temperature
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January 1969 |
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Vertical profiles of HCN, HC3N, and C2H2 in Titan's atmosphere derived from Cassini/CIRS data
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February 2007 |