Publications

  1. "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 1A2 State of :CCH2 (Vinylidene)." A. G. Watrous, M. C. Davis, and R. C. Fortenberry. J. Phys. Chem. A, 2024, 128, 2150--2161, DOI: 10.1021/acs.jpca.3c08168.
  2. "DFT+F12 QFFs for Cost Effective Rovibrational Spectral Predictions of Ground and Excited Electronic States." N. R. Garrett, M. C. Davis, and R. C. Fortenberry. J. Chem. Theor. Comput., 2024, 20, 1324-1336, DOI: 10.1021/acs.jctc.3c01179.
  3. "F12+EOM Quartic Force Fields for Rovibrational Predictions of Electronically Excited States." M. C. Davis, N. Garrett, and R. C. Fortenberry. J. Phys. Chem. A, 2023, 127, 4771-4779, DOI: 10.1021/acs.jpca.3c00072.
  4. "Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations." M. C. Davis, and R. C. Fortenberry. Molecules, 2023, 28, 1782, DOI: 10.3390/molecules28041782.
  5. "Confirmation of Gaseous Methanediol from State-of-the-Art Theoretical Rovibrational Characterization." M. C. Davis, N. Garrett, and R. C. Fortenberry. Phys. Chem. Chem. Phys., 2022, 24, 18552-18558, DOI: 10.1039/D2CP02076A.
  6. "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.
  7. "(T)+EOM Quartic Force Fields for Theoretical Vibrational Spectroscopy of Electronically Excited States." M. C. Davis, and R. C. Fortenberry. J. Chem. Theor. Comput., 2021, 17, 4374-4382, DOI: 10.1021/acs.jctc.1c00307.
  8. "Pathways to Detection of Strongly-Bound Inorganic Species: The Vibrational and Rotational Spectral Data of AlH2OH, HMgOH, AlH2NH2, and HMgNH2" A. G. Watrous, M. C. Davis, and R. C. Fortenberry. Front. Space Sci. Astron., 2021, 8, 643348, DOI: 10.3389/fspas.2021.643348. Cover Article: img/covers/wallace.jpg
  9. "Spectroscopic Investigation of [Al,N,C,O] Refractory Molecules." T. Trabelsi, M. C. Davis, R. C. Fortenberry, and J. S. Francisco. J. Chem. Phys., 2019, 151, 244303, DOI: 10.1063/1.5125268.