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Stephen G. Dale, Ph.D. - Publications

Affiliations: 
2021- Queensland Micro- and Nanotechnology Centre Griffith University, Australia 
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20 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Gould T, Hashimi Z, Kronik L, Dale SG. Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and Approximations. The Journal of Physical Chemistry Letters. 13: 2452-2458. PMID 35266399 DOI: 10.1021/acs.jpclett.2c00042  0.352
2022 Hemmingsen LO, Hervir OAJ, Dale SG. Linear fractional charge behavior in density functional theory through dielectric tuning of conductor-like polarizable continuum model. The Journal of Chemical Physics. 156: 014106. PMID 34998325 DOI: 10.1063/5.0067685  0.358
2020 Yu L, Dale SG, Chan B, Karton A. Benchmark study of DFT and composite methods for bond dissociation energies in argon compounds Chemical Physics. 531: 110676. DOI: 10.1016/J.Chemphys.2019.110676  0.427
2019 Awoonor-Williams E, Isley WC, Dale SG, Johnson ER, Yu H, Becke AD, Roux B, Rowley CN. Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols. Journal of Computational Chemistry. PMID 31512279 DOI: 10.1002/Jcc.26064  0.755
2018 Dale SG, Johnson ER. Theoretical Descriptors of Electrides. The Journal of Physical Chemistry. A. PMID 30339025 DOI: 10.1021/Acs.Jpca.8B08548  0.732
2018 Dale SG, Becke AD, Johnson ER. Density-functional description of alkalides: introducing the alkalide state. Physical Chemistry Chemical Physics : Pccp. PMID 30324211 DOI: 10.1039/C8Cp04014A  0.759
2018 LeBlanc LM, Dale SG, Taylor CR, Becke AD, Day GM, Johnson ER. Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-Crystals. Angewandte Chemie (International Ed. in English). PMID 30248221 DOI: 10.1002/Anie.201809381  0.72
2018 Becke AD, Dale SG, Johnson ER. Communication: Correct charge transfer in CT complexes from the Becke'05 density functional. The Journal of Chemical Physics. 148: 211101. PMID 29884028 DOI: 10.1063/1.5039742  0.76
2018 Dale SG, Otero-de-la-Roza A, Johnson ER. Pressure-Induced Isostructural Antiferromagnetic–Ferromagnetic Transition in an Organic Electride The Journal of Physical Chemistry C. 122: 12742-12747. DOI: 10.1021/Acs.Jpcc.8B02125  0.677
2017 Dale SG, Johnson ER, Becke AD. Interrogating the Becke'05 density functional for non-locality information. The Journal of Chemical Physics. 147: 154103. PMID 29055302 DOI: 10.1063/1.5000909  0.741
2017 Dale SG, Johnson ER. The ionic versus metallic nature of 2D electrides: a density-functional description. Physical Chemistry Chemical Physics : Pccp. PMID 28971195 DOI: 10.1039/C7Cp04825D  0.717
2017 Dale SG, Johnson ER. Thermodynamic cycles of the alkali metal-ligand complexes central to electride formation. Physical Chemistry Chemical Physics : Pccp. PMID 28470297 DOI: 10.1039/C7Cp00882A  0.667
2016 Dale SG, Johnson ER. The explicit examination of the magnetic states of electrides. Physical Chemistry Chemical Physics : Pccp. 18: 27326-27335. PMID 27722311 DOI: 10.1039/C6Cp05345A  0.705
2015 Dale SG, Johnson ER. Counterintuitive electron localisation from density-functional theory with polarisable solvent models. The Journal of Chemical Physics. 143: 184112. PMID 26567651 DOI: 10.1063/1.4935177  0.737
2015 Johnson ER, Clarkin OJ, Dale SG, DiLabio GA. Kinetics of the addition of olefins to Si-centered radicals: the critical role of dispersion interactions revealed by theory and experiment. The Journal of Physical Chemistry. A. 119: 5883-8. PMID 25950108 DOI: 10.1021/Acs.Jpca.5B03251  0.697
2014 Dale SG, Otero-de-la-Roza A, Johnson ER. Density-functional description of electrides. Physical Chemistry Chemical Physics : Pccp. 16: 14584-93. PMID 24724157 DOI: 10.1039/C3Cp55533J  0.738
2013 Johnson ER, Otero-de-la-Roza A, Dale SG, DiLabio GA. Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory. The Journal of Chemical Physics. 139: 214109. PMID 24320366 DOI: 10.1063/1.4832325  0.687
2013 Johnson ER, Otero-de-la-Roza A, Dale SG. Extreme density-driven delocalization error for a model solvated-electron system. The Journal of Chemical Physics. 139: 184116. PMID 24320263 DOI: 10.1063/1.4829642  0.743
2012 Lapere KM, LaMacchia RJ, Quak LH, Kettner M, Dale SG, McKinley AJ, Wild DA. Anion photoelectron spectra and ab initio calculations of the iodide-carbon monoxide clusters: I(-)···(CO)(n), n = 1-4. The Journal of Physical Chemistry. A. 116: 3577-84. PMID 22420454 DOI: 10.1021/Jp300471X  0.619
2012 Lapere KM, Lamacchia RJ, Quak LH, Kettner M, Dale SG, McKinley AJ, Wild DA. The bromidecarbon monoxide gas phase complex: Anion photoelectron spectroscopy and ab initio calculations Australian Journal of Chemistry. 65: 457-462. DOI: 10.1071/Ch12007  0.648
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