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Dale, Stephen G.
5242
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1
Identifying and embedding transferability in data-driven re..:
Gould, Tim
;
Chan, Bun
;
Dale, Stephen G.
.
Chemical Science. 15 (2024) 28 - p. 11122-11133 , 2024
Link:
https://doi.org/10.1039/..
?
2
Size Isn't Everything: Geometric Tuning in Polycyclic Aroma..:
Scott, James M.
;
Dale, Stephen G.
;
McBroom, James
..
The Journal of Physical Chemistry A. 128 (2024) 11 - p. 2003-2014 , 2024
Link:
https://doi.org/10.1021/..
?
3
Introducing Novel Materials with Diffuse Electrons for Appl..:
Jackson, Benjamin A.
;
Dale, Stephen G.
;
Camarasa-Gómez, María
.
The Journal of Physical Chemistry C. 127 (2023) 19 - p. 9295-9308 , 2023
Link:
https://doi.org/10.1021/..
?
4
Linear fractional charge behavior in density functional the..:
Hemmingsen, Luke O.
;
Hervir, Oliver A. J.
;
Dale, Stephen G.
The Journal of Chemical Physics. 156 (2022) 1 - p. , 2022
Link:
https://doi.org/10.1063/..
?
5
Single Excitation Energies Obtained from the Ensemble "HOMO..:
Gould, Tim
;
Hashimi, Zahed
;
Kronik, Leeor
.
The Journal of Physical Chemistry Letters. 13 (2022) 10 - p. 2452-2458 , 2022
Link:
https://doi.org/10.1021/..
?
6
Delocalization error: The greatest outstanding challenge in..:
Bryenton, Kyle R.
;
Adeleke, Adebayo A.
;
Dale, Stephen G.
.
WIREs Computational Molecular Science. 13 (2022) 2 - p. , 2022
Link:
https://doi.org/10.1002/..
?
7
Poisoning density functional theory with benchmark sets of ..:
Gould, Tim
;
Dale, Stephen G.
Physical Chemistry Chemical Physics. 24 (2022) 11 - p. 6398-6403 , 2022
Link:
https://doi.org/10.1039/..
?
8
Benchmark study of DFT and composite methods for bond disso..:
Yu, Li-Juan
;
Dale, Stephen G.
;
Chan, Bun
.
Chemical Physics. 531 (2020) - p. 110676 , 2020
Link:
https://doi.org/10.1016/..
?
9
Quantum Chemical Methods for Modeling Covalent Modification..:
Awoonor‐Williams, Ernest
;
Isley III, William C.
;
Dale, Stephen G.
...
Journal of Computational Chemistry. 41 (2019) 5 - p. 427-438 , 2019
Link:
https://doi.org/10.1002/..
?
10
Pervasive Delocalisation Error Causes Spurious Proton Trans..:
LeBlanc, Luc M.
;
Dale, Stephen G.
;
Taylor, Christopher R.
...
Angewandte Chemie International Edition. 57 (2018) 45 - p. 14906-14910 , 2018
Link:
https://doi.org/10.1002/..
?
11
Pressure-Induced Isostructural Antiferromagnetic–Ferromagne..:
Dale, Stephen G.
;
Otero-de-la-Roza, A.
;
Johnson, Erin R.
The Journal of Physical Chemistry C. 122 (2018) 24 - p. 12742-12747 , 2018
Link:
https://doi.org/10.1021/..
?
12
Pervasive Delocalisation Error Causes Spurious Proton Trans..:
LeBlanc, Luc M.
;
Dale, Stephen G.
;
Taylor, Christopher R.
...
Angewandte Chemie. 130 (2018) 45 - p. 15122-15126 , 2018
Link:
https://doi.org/10.1002/..
?
13
Theoretical Descriptors of Electrides:
Dale, Stephen G.
;
Johnson, Erin R.
The Journal of Physical Chemistry A. 122 (2018) 49 - p. 9371-9391 , 2018
Link:
https://doi.org/10.1021/..
?
14
Density-functional description of alkalides: introducing th..:
Dale, Stephen G.
;
Becke, Axel D.
;
Johnson, Erin R.
Physical Chemistry Chemical Physics. 20 (2018) 41 - p. 26710-26718 , 2018
Link:
https://doi.org/10.1039/..
?
15
Communication: Correct charge transfer in CT complexes from..:
Becke, Axel D.
;
Dale, Stephen G.
;
Johnson, Erin R.
The Journal of Chemical Physics. 148 (2018) 21 - p. , 2018
Link:
https://doi.org/10.1063/..
1-15