NMR shielding constants in group 15 trifluorides TE Field-Theodore, M Olejniczak, M Jaszuński, DJD Wilson Physical Chemistry Chemical Physics 20 (35), 23025-23033, 2018 | 18 | 2018 |
Computational Predictions of the Beryllium Analogue of Borole, Cp+, and the Fluorenyl Cation: Highly Stabilized, non-Lewis Acidic Antiaromatic Ring Systems TE Field-Theodore, DJD Wilson, JL Dutton Inorganic Chemistry 54 (16), 8035-8041, 2015 | 10 | 2015 |
ALTRUISM: a higher calling TE Field-Theodore, PR Taylor Journal of Chemical Theory and Computation 16 (7), 4388-4398, 2020 | 7 | 2020 |
Interstellar hide and go seek: C 3 H 4 O. There and back (again) TE Field-Theodore, PR Taylor Physical Chemistry Chemical Physics 24 (32), 19184-19198, 2022 | 6 | 2022 |
A coupled cluster study of the magnetisability, rotational g-tensor and quadrupole moment of NF3, PF3 and AsF3 TE Field-Theodore, DJD Wilson Molecular Physics 115 (17-18), 2285-2299, 2017 | 4 | 2017 |
Carboberyllation: addition of organoberyllium species to alkenes and alkynes. A comparison with carboboration TE Field-Theodore, SA Couchman, DJD Wilson, JL Dutton Dalton Transactions 46 (24), 7686-7692, 2017 | 3 | 2017 |
Effect of Fluorine Substitution on Magnetizabilities: Insights from Density Functional Theory and Benchmark Coupled-Cluster Calculations TE Field-Theodore, PR Taylor, DJD Wilson The Journal of Physical Chemistry A 128 (44), 9645-9663, 2024 | | 2024 |
A theoretical investigation of OH+ CH2CNH reactivity: interstellar insights into glycolonitrile formation. T Field-Theodore, S Alessandrini, C Puzzarini EAS2024, 586, 2024 | | 2024 |
Sweetness and light: computation of the rotational spectra of proto-saccharides M Sang, TE Field-Theodore, PR Taylor Molecular Physics 122 (7-8), e2273976, 2024 | | 2024 |
Conjugation trumps cumulation: the global minimum on the C3H4O surface TE Field-Theodore, PR Taylor Molecular Physics 119 (21-22), e1979263, 2021 | | 2021 |
The accurate calculation of molecular properties and insights into beryllium chemistry TE Field-Theodore La Trobe, 2018 | | 2018 |