Measurement of absolute photoluminescence quantum yields using integrating spheres–Which way to go? DO Faulkner, JJ McDowell, AJ Price, DD Perovic, NP Kherani, GA Ozin Laser & Photonics Reviews 6 (6), 802-806, 2012 | 64 | 2012 |
Requirements for an accurate dispersion-corrected density functional AJA Price, KR Bryenton, ER Johnson The Journal of Chemical Physics 154 (23), 2021 | 54 | 2021 |
Pure blue emitting poly (3, 6-dimethoxy-9, 9-dialkylsilafluorenes) prepared via nickel-catalyzed cross-coupling of diarylmagnesate monomers JJ McDowell, I Schick, A Price, D Faulkner, G Ozin Macromolecules 46 (17), 6794-6805, 2013 | 21 | 2013 |
XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy AJA Price, A Otero-de-la-Roza, ER Johnson Chemical Science 14 (5), 1252-1262, 2023 | 20 | 2023 |
Theoretical investigation of amino-acid adsorption on hydroxylated quartz surfaces: dispersion can determine enantioselectivity AJ Price, ER Johnson Physical Chemistry Chemical Physics 22 (29), 16571-16578, 2020 | 13 | 2020 |
A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism JA Weatherby, AF Rumson, AJA Price, A Otero de la Roza, ER Johnson The Journal of Chemical Physics 156 (11), 2022 | 9 | 2022 |
Comparison of density-functional theory dispersion corrections for the DES15K database CJ Nickerson, KR Bryenton, AJA Price, ER Johnson The Journal of Physical Chemistry A 127 (41), 8712-8722, 2023 | 6 | 2023 |
Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT AJA Price, RA Mayo, A Otero-de-la-Roza, ER Johnson CrystEngComm 25 (6), 953-960, 2023 | 6 | 2023 |
Small molecule binding to surface-supported single-site transition-metal reaction centres M DeJong, AJA Price, E Mårsell, G Tom, GD Nguyen, ER Johnson, ... Nature Communications 13 (1), 7407, 2022 | 4 | 2022 |
Adaptive hybrid density functionals D Khan, AJA Price, ML Ach, O Trottier, OA von Lilienfeld arXiv preprint arXiv:2402.14793, 2024 | 3 | 2024 |
Reducing training data needs with minimal multilevel machine learning (M3L) S Heinen, D Khan, GF von Rudorff, K Karandashev, DJA Arrieta, ... Machine Learning: Science and Technology 5 (2), 025058, 2024 | 2 | 2024 |
Supplementary Information for: XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy AJA Price, AO de la Roza, ER Johnson | | 2022 |