Robert J. Deeth, PhD
Affiliations: | Chemistry | University of Warwick, Coventry, England, United Kingdom |
Area:
inorganic computational chemistryWebsite:
http://www2.warwick.ac.uk/fac/sci/chemistry/research/deeth/Google:
"Robert Deeth"Mean distance: 10.04
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Publications
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| Deeth RJ. (2024) Ligand field theory, Pauli shields and ultra-covalency in organometallic chemistry. Physical Chemistry Chemical Physics : Pccp. 26: 18138-18148 |
| Buchhorn M, Deeth RJ, Krewald V. (2022) Revisiting the Fundamental Nature of Metal-Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model Parameters. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Deeth RJ. (2020) d-orbital energy levels in planar [MF], [M(NH)] and [M(CN)] complexes: the nature of M-L π bonding and the implications for ligand field theory. Dalton Transactions (Cambridge, England : 2003) |
| Deeth RJ. (2020) Ligand Field Theory for Planar Complexes: First Principles Validation of the Critical Effects of Coordination Voids European Journal of Inorganic Chemistry. 2020: 1960-1963 |
| Alzahrani KAH, Deeth RJ. (2019) A Computational Analysis of the Intrinsic Plasticity of Five-Coordinate Cu(II) Complexes and the Factors Leading to the Breakdown of the Orbital Directing Effect in Paddlewheel Secondary Building Units. Journal of Computational Chemistry |
| Mutter S, Turner M, Deeth RJ, et al. (2018) Metal Binding to Amyloid β1-42: A Ligand Field Molecular Dynamics Study. Acs Chemical Neuroscience |
| Turner M, Mutter ST, Deeth RJ, et al. (2018) Ligand field molecular dynamics simulation of Pt(II)-phenanthroline binding to N-terminal fragment of amyloid-β peptide. Plos One. 13: e0193668 |
| Bernhardt PV, Bilyj JK, Brosius V, et al. (2018) Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Alzahrani KA, Deeth RJ. (2018) Density functional calculations reveal a flexible version of the copper paddlewheel unit: implications for metal organic frameworks. Dalton Transactions (Cambridge, England : 2003). 45: 11944-8 |
| Deeth RJ, Halcrow M, Kershaw Cook L, et al. (2017) Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes. Chemistry (Weinheim An Der Bergstrasse, Germany) |