Publications

  1. "Theoretical Rotational and Vibrational Spectra Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+." A. R. Flint, B. R. Westbrook, and R. C. Fortenberry. Chem. Phys. Chem., 2024, 25, e202400479, DOI: 10.1002/cphc.202400479.
  2. "Anharmonic rotational and vibrational spectroscopic constants of NH2CH2OH." B. R. Westbrook, and R. C. Fortenberry. Vib. Spec., 2024, 132, 103690, DOI: 10.1016/j.vibspec.2024.103690.
  3. "On the Detectability of Interstellar Diaminomethane ((NH2)2CH2)." A. G. Watrous, B. R. Westbrook, and R. C. Fortenberry. Mon. Not. Royal Astron. Soc., 2024, 527, 11090-11094, DOI: 10.1093/mnras/stad3938.
  4. "High Throughput Anharmonic Vibrational and Rotational Spectral Computations." B. R. Westbrook, and R. C. Fortenberry. Ann. Rep. Comput. Chem, 2023, 19, 65, DOI: 10.1016/bs.arcc.2023.10.005.
  5. "Taming Semi-Empirical Methods for PAHs and Vibrational Spectra." B. R. Westbrook, and R. C. Fortenberry. J. Molec. Spectrosc., 2023, 398, 111846, DOI: 10.1016/j.jms.2023.111846.
  6. "The Performance of Hybrid and F12\/F12c Explicitly Correlated Coupled Cluster Methods for Use in Anharmonic Vibrational Frequency Computations." A. G. Watrous, B. R. Westbrook, and R. C. Fortenberry. Int. J. Quantum Chem., 2023, 123, e27225, DOI: 10.1002/qua.27225.
  7. "pbqff: Push-Button Quartic Force Fields." B. R. Westbrook, and R. C. Fortenberry. J. Chem. Theor. Comput., 2023, 19, 2606-2615, DOI: 10.1021/acs.jctc.3c00129.
  8. "Gas-phase formation and spectroscopic characterization of the disubstituted cyclopropenylidenes c-C3(C2H)2, c-C3(CN)2, and c-C3(C2H)(CN)." A. R. Flint, A. G. Watrous, B. R. Westbrook, D. J. Patel, and R. C. Fortenberry. Astron. Astrophys., 2023, 671, A95, DOI: 10.1051/0004-6361/202245643. Cover Article: img/covers/pbqff.jpg
  9. "Red-Shifting the Excitation Energy of Carbonic Acid Clusters via Non-Minimum Structures." O. G. Haney, B. R. Westbrook, T. J. Santaloci, and R. C. Fortenberry. J. Phys. Chem. A, 2023, 127, 489-494, DOI: 10.1021/acs.jpca.2c07589.
  10. "The Spectral Features and Detectability of Small, Cyclic Silicon Carbide Clusters." C. M. Sehring, C. Z. Palmer, B. R. Westbrook, and R. C. Fortenberry. Frontiers Astron. Space Sci., 2022, 9, 1074879, DOI: 10.3389/fspas.2022.1074879.
  11. "Reparameterized Semi-Empirical Methods for Computing Anharmonic Vibrational Frequencies of Multiply-Bonded Hydrocarbons." B. R. Westbrook, J. P. Layfield, T. J. Lee, and R. C. Fortenberry. Electronic Struct., 2022, 4, 045003, DOI: 10.1088/2516-1075/aca458.
  12. "Theoretical Spectra and Energetics for c-C3HC2H, l-C5H2, and Bipyramidal D3h C5H2." A. G. Watrous, B. R. Westbrook, and R. C. Fortenberry. Frontiers Astron. Space Sci., 2022, 9, 1051535, DOI: 10.3389/fspas.2022.1051535.
  13. "Polycyclic Aliphatic Hydrocarbons: Is Tetrahedrane Present in UIR Spectra?" B. R. Westbrook, G. M. Beasley, and R. C. Fortenberry. Phys. Chem. Chem. Phys., 2022, 24, 14348-14353, DOI: 10.1039/D2CP01103D.
  14. "Benzvalyne: Real or Imaginary?" K. N. Poland, B. R. Westbrook, D. H. Magers, R. C. Fortenberry, and S. R. Davis. J. Chem. Phys., 2022, 156, 024302, DOI: 10.1063/5.0077033.
  15. "F12-TZ-cCR: A Methodology for Faster and Still Highly-Accurate Quartic Force Fields." A. G. Watrous, B. R. Westbrook, and R. C. Fortenberry. J. Phys. Chem. A, 2021, 125, 10532-10540, DOI: 10.1021/acs.jpca.1c08355.
  16. "Anharmonic Vibrational Frequencies of Water Borane and Associated Molecules." B. R. Westbrook, and R. C. Fortenberry. Molecules, 2021, 26, 7348, DOI: 10.3390/molecules26237348. Cover Article: img/covers/tzccr.jpg
  17. "Vibrational and Rotational Spectral Data for Possible Interstellar Detection of AlH3OH2, SiH3OH, and SiH3NH2." A. G. Watrous, B. R. Westbrook, M. C. Davis, and R. C. Fortenberry. Mon. Not. Royal Astron. Soc., 2021, 508, 2613-2619, DOI: 10.1093/mnras/stab2683.
  18. "Fundamental Vibrational Frequencies and Spectroscopic Constants of Substituted Cyclopropenylidene (c-C3HX, X=F,Cl,CN)." B. R. Westbrook, D. J. Patel, J. D. Dallas, G. C. Swartzfager, T. J. Lee, and R. C. Fortenberry. J. Chem. Phys. A, 2021, 125, 8860-8868, DOI: 10.1021/acs.jpca.1c06576.
  19. "Communication: Anharmonic Vibrational Frequencies of Ammonia Borane (BH3NH3)." B. R. Westbrook, E. M. Valencia, S. C. Rushing, G. S. Tschumper, and R. C. Fortenberry. J. Chem. Phys., 2021, 154, 041104, DOI: 10.1063/5.0040050.
  20. "Anharmonic Vibrational Frequencies and Spectroscopic Constants for the Detection of Ethynol in Space." J. D. Dallas, B. R. Westbrook, and R. C. Fortenberry. Front. Space Sci. Astron., 2021, 7, 626407, DOI: 10.3389/fspas.2020.626407.
  21. "Highly-Accurate Quartic Force Fields for the Prediction of Anharmonic Rotational Constants and Fundamental Vibrational Frequencies." M. B. Gardner, B. R. Westbrook, R. C. Fortenberry, and T. J. Lee. Spectrochim. Acta A, 2021, 248, 119184, DOI: 10.1016/j.saa.2020.119184.
  22. "Anharmonic Vibrational Frequencies for Small Clusters of Silicon and Oxygen: SiO2, SiO3, Si2O3, & Si2O4." M. B. Gardner, B. R. Westbrook, and R. C. Fortenberry. Planetary & Space Science, 2020, 193, 105176, DOI: 10.1016/j.pss.2020.105076.
  23. "Overcoming the Out-of-Plane Bending Issue in an Aromatic Hydrocarbon: The Anharmonic Vibrational Frequencies of c-(CH)C3H2+." B. R. Westbrook, W. A. Del Rio, T. J. Lee, and R. C. Fortenberry. Phys. Chem. Chem. Phys., 2020, 22, 12951-12958, DOI: 10.1039/D0CP01889A. Cover Article: img/covers/popcorn.jpg
  24. "Anharmonic Frequencies of (MO)2 & Related Hydrides for M = Mg, Al, Si, P, S, Ca, & Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic Oxides." B. R. Westbrook, and R. C. Fortenberry. J. Phys. Chem. A, 2020, 124, 3191-3204, DOI: 10.1021/acs.jpca.0c01609.
  25. "Communication: Molecular Oxygen Generation from the Reaction of Water Cations with Oxygen Atoms." R. C. Fortenberry, Tarek Trabelsi, B. R. Westbrook, W. A. Del Rio, and J. S. Francisco. J. Chem. Phys., 2019, 150, 201103, DOI: 10.1063/1.5102073.
  26. "Binding of the Atomic Cations Hydrogen through Argon to Water and Hydrogen Sulfide." B. R. Westbrook, K. Dreux, G. S. Tschumper, J. S. Francisco, and R. C. Fortenberry. Phys. Chem. Chem. Phys., 2018, 20, 25967-25973, DOI: 10.1039/C8CP05378B.