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Alastair J. A. Price
Alastair J. A. Price
在 utoronto.ca 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
642012
Requirements for an accurate dispersion-corrected density functional
AJA Price, KR Bryenton, ER Johnson
The Journal of Chemical Physics 154 (23), 2021
542021
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
212013
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
202023
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
132020
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
92022
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
62023
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
62023
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
42022
Adaptive hybrid density functionals
D Khan, AJA Price, ML Ach, O Trottier, OA von Lilienfeld
arXiv preprint arXiv:2402.14793, 2024
32024
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
22024
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
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