Search Results - Watrous, Alexandria G.

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  1. 1
    F12-TZ-cCR: A Methodology for Faster and Still Highly Accurate Quartic Force Fields

    F12-TZ-cCR: A Methodology for Faster and Still Highly Accurate Quartic Force Fields by Watrous, Alexandria G, Westbrook, Brent R, Fortenberry, Ryan C

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  2. 2
    The fundamental vibrational frequencies and spectroscopic constants of the C2O2H2 isomers: molecules known in simulated interstellar ice analogues

    The fundamental vibrational frequencies and spectroscopic constants of the C2O2H2 isomers: molecules known in simulated interstellar ice analogues by Watrous, Alexandria G, tenberry, Ryan C

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  3. 3
    The fundamental vibrational frequencies and spectroscopic constants of the C 2 O 2 H 2 isomers: molecules known in simulated interstellar ice analogues

    The fundamental vibrational frequencies and spectroscopic constants of the C 2 O 2 H 2 isomers: molecules known in simulated interstellar ice analogues by Watrous, Alexandria G, Fortenberry, Ryan C

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  4. 4
    The infrared features and full rotational constant catalogue of the newly detected MgC2 astromolecule

    The infrared features and full rotational constant catalogue of the newly detected MgC2 astromolecule by Watrous, Alexandria G, Fortenberry, R C

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  5. 5
    On the detectability of interstellar diaminomethane ((NH2)2CH2)

    On the detectability of interstellar diaminomethane ((NH2)2CH2) by Watrous, Alexandria G, Westbrook, Brent R, Fortenberry, Ryan C

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  6. 6
    Performance of EOM-CCSD(T)(a)-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to the à 1 A ″ State of :CCH 2 (Vinylidene)

    Performance of EOM-CCSD(T)(a)-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to... by Watrous, Alexandria G, Davis, Megan C, Fortenberry, Ryan C

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  7. 7
    The performance of hybrid and F12∗/F12c explicitly correlated coupled cluster methods for use in anharmonic vibrational frequency computations

    The performance of hybrid and F12∗/F12c explicitly correlated coupled cluster methods for use in anharmonic vibrational frequency computations by Watrous, Alexandria G., Westbrook, Brent R., Fortenberry, Ryan C.

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  8. 8
    Pathways to Detection of Strongly-Bound Inorganic Species: The Vibrational and Rotational Spectral Data of AlH2OH, HMgOH, AlH2NH2, and HMgNH2

    Pathways to Detection of Strongly-Bound Inorganic Species: The Vibrational and Rotational Spectral Data of AlH2OH, HMgOH, AlH2NH2, and HMgNH2 by Watrous, Alexandria G., Davis, Megan C., Fortenberry, Ryan C.

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  9. 9
    Theoretical spectra and energetics for c-C3HC2H, l-C5H2, and bipyramidal D3h C5H2

    Theoretical spectra and energetics for c-C3HC2H, l-C5H2, and bipyramidal D3h C5H2 by Watrous, Alexandria G., Westbrook, Brent R., Fortenberry, Ryan C.

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  10. 10
    The fundamental vibrational frequencies and spectroscopic constants of the COH isomers: molecules known in simulated interstellar ice analogues

    The fundamental vibrational frequencies and spectroscopic constants of the COH isomers: molecules known in simulated interstellar ice analogues by Watrous, Alexandria G, Fortenberry, Ryan C

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  11. 11
    Performance of EOM-CCSD(T)(a)-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to the à 1 A″ State of :CCH2 (Vinylidene)

    Performance of EOM-CCSD(T)(a)-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to... by Watrous, Alexandria G., Davis, Megan C., Fortenberry, Ryan C.

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  12. 12
    Gas-phase formation and spectroscopic characterization of the disubstituted cyclopropenylidenes c -C 3 (C 2 H) 2 , c -C 3 (CN) 2 , and c -C 3 (C 2 H)(CN)

    Gas-phase formation and spectroscopic characterization of the disubstituted cyclopropenylidenes c -C 3 (C 2 H) 2 , c -C 3 (CN) 2 , and c -C 3 (C 2 H)(CN) by Flint, Athena R., Watrous, Alexandria G., Westbrook, Brent R., Patel, Dev J., Fortenberry, Ryan C.

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  13. 13
    Performance of EOM-CCSD(T)(a)-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to the Ã1A″ State of :CCH2 (Vinylidene)

    Performance of EOM-CCSD(T)(a)-Based Quartic Force Fields in Computing Fundamental, Anharmonic Vibrational Frequencies of Molecular Electronically Excited States with Application to... by Watrous, Alexandria G, Davis, Megan C, tenberry, Ryan C

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