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Brent R Westbrook
Brent R Westbrook
Open Molecular Software Foundation
Verified email at go.olemiss.edu - Homepage
Title
Cited by
Cited by
Year
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
612021
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
372021
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
272020
Anharmonic vibrational frequencies of ammonia borane (BH3NH3)
BR Westbrook, EM Valencia, SC Rushing, GS Tschumper, ...
The Journal of Chemical Physics 154 (4), 041104, 2021
202021
pbqff: Push-Button Quartic Force Fields
BR Westbrook, RC Fortenberry
Journal of Chemical Theory and Computation 19 (9), 2606-2615, 2023
142023
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
142020
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
132018
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
112021
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
102021
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
82022
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
72020
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
62019
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
42023
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
42022
Polycyclic aliphatic hydrocarbons: is tetrahedrane present in UIR spectra?
BR Westbrook, GM Beasley, RC Fortenberry
Physical Chemistry Chemical Physics 24 (23), 14348-14353, 2022
42022
Anharmonic Vibrational Frequencies of Water Borane and Associated Molecules
BR Westbrook, RC Fortenberry
Molecules 26 (23), 7348, 2021
42021
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
22023
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
22023
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
22022
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Articles 1–20