Highly-accurate quartic force fields for the prediction of anharmonic rotational constants and fundamental vibrational frequencies MB Gardner, BR Westbrook, RC Fortenberry, TJ Lee Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 248, 119184, 2021 | 61 | 2021 |
F12-TZ-cCR: A Methodology for Faster and Still Highly Accurate Quartic Force Fields AG Watrous, BR Westbrook, RC Fortenberry The Journal of Physical Chemistry A 125 (49), 10532-10540, 2021 | 37 | 2021 |
Anharmonic Frequencies of (MO)2 and Related Hydrides for M = Mg, Al, Si, P, S, Ca, and Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic Oxides BR Westbrook, RC Fortenberry The Journal of Physical Chemistry A 124 (16), 3191-3204, 2020 | 27 | 2020 |
Anharmonic vibrational frequencies of ammonia borane (BH3NH3) BR Westbrook, EM Valencia, SC Rushing, GS Tschumper, ... The Journal of Chemical Physics 154 (4), 041104, 2021 | 20 | 2021 |
pbqff: Push-Button Quartic Force Fields BR Westbrook, RC Fortenberry Journal of Chemical Theory and Computation 19 (9), 2606-2615, 2023 | 14 | 2023 |
Overcoming the Out-of-Plane Bending Issue in an Aromatic Hydrocarbon: The Anharmonic Vibrational Frequencies of c-(CH) C 3 H 2+ B Westbrook, WA Del Rio, TJ Lee, RC Fortenberry Physical Chemistry Chemical Physics, 2020 | 14 | 2020 |
Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide BR Westbrook, KM Dreux, GS Tschumper, JS Francisco, RC Fortenberry Physical Chemistry Chemical Physics 20 (40), 25967-25973, 2018 | 13 | 2018 |
Fundamental Vibrational Frequencies and Spectroscopic Constants of Substituted Cyclopropenylidene (c-C3HX, X = F, Cl, CN) BR Westbrook, DJ Patel, JD Dallas, GC Swartzfager, TJ Lee, ... The Journal of Physical Chemistry A 125 (40), 8860-8868, 2021 | 11 | 2021 |
Vibrational and rotational spectral data for possible interstellar detection of AlH3OH2, SiH3OH, and SiH3NH2 AG Watrous, BR Westbrook, MC Davis, RC Fortenberry Monthly Notices of the Royal Astronomical Society 508 (2), 2613-2619, 2021 | 10 | 2021 |
Reparameterized semi-empirical methods for computing anharmonic vibrational frequencies of multiply-bonded hydrocarbons BR Westbrook, JP Layfield, TJ Lee, RC Fortenberry Electronic Structure 4 (4), 045003, 2022 | 8 | 2022 |
Spectral characterization for small clusters of silicon and oxygen: SiO2, SiO3, Si2O3, & Si2O4 MB Gardner, BR Westbrook, RC Fortenberry Planetary and Space Science 193, 105076, 2020 | 7 | 2020 |
Molecular oxygen generation from the reaction of water cations with oxygen atoms RC Fortenberry, T Trabelsi, BR Westbrook, WA Del Rio, JS Francisco The Journal of chemical physics 150 (20), 201103, 2019 | 6 | 2019 |
The performance of hybrid and F12*/F12c explicitly correlated coupled cluster methods for use in anharmonic vibrational frequency computations AG Watrous, BR Westbrook, RC Fortenberry International Journal of Quantum Chemistry, e27225, 0 | 5* | |
Taming semi-empirical methods for PAHs and vibrational spectra BR Westbrook, RC Fortenberry Journal of Molecular Spectroscopy 398, 111846, 2023 | 4 | 2023 |
Theoretical spectra and energetics for c-C3HC2H, l-C5H2, and bipyramidal D3h C5H2 AG Watrous, BR Westbrook, RC Fortenberry Frontiers in Astronomy and Space Sciences 9, 1051535, 2022 | 4 | 2022 |
Polycyclic aliphatic hydrocarbons: is tetrahedrane present in UIR spectra? BR Westbrook, GM Beasley, RC Fortenberry Physical Chemistry Chemical Physics 24 (23), 14348-14353, 2022 | 4 | 2022 |
Anharmonic Vibrational Frequencies of Water Borane and Associated Molecules BR Westbrook, RC Fortenberry Molecules 26 (23), 7348, 2021 | 4 | 2021 |
Gas-phase formation and spectroscopic characterization of the disubstituted cyclopropenylidenes c-C3 (C2H) 2, c-C3 (CN) 2, and c-C3 (C2H)(CN) AR Flint, AG Watrous, BR Westbrook, DJ Patel, RC Fortenberry Astronomy & Astrophysics 671, A95, 2023 | 2 | 2023 |
Red-Shifting the Excitation Energy of Carbonic Acid Clusters Via Nonminimum Structures OG Haney, BR Westbrook, TJ Santaloci, RC Fortenberry The Journal of Physical Chemistry A 127 (2), 489-494, 2023 | 2 | 2023 |
The spectral features and detectability of small, cyclic silicon carbide clusters CM Sehring, CZ Palmer, BR Westbrook, RC Fortenberry Frontiers in Astronomy and Space Sciences 9, 1074879, 2022 | 2 | 2022 |