Andy Kerridge - Dissemin

Papers authored by Andy Kerridge

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2018 Jonathan Tanti, Meghan Lincoln, Andy Kerridge

Decomposition of d- and f-Shell Contributions to Uranium Bonding from the Quantum Theory of Atoms in Molecules: Application to Uranium and Uranyl Halides

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Korey P. Carter

, Mark Kalaj

, Andrew Kerridge

, Christopher L. Cahill

Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study

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Izaak Fryer-Kanssen, Andy Kerridge

Elucidation of the inverse trans influence in uranyl and its imido and carbene analogues via quantum chemical simulation

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Simon Boothroyd, Andy Kerridge

, Anders Broo, David Buttar, Jamshed Anwar

Solubility prediction from first principles: a density of states approach

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2017 Alasdair Formanuik, Fabrizio Ortu

, Jingjing Liu, Lydia E. Nodaraki, Floriana Tuna

, Andrew Kerridge

, David P. Mills

Double Reduction of 4,4′-Bipyridine and Reductive Coupling of Pyridine by Two Thorium(III) Single-Electron Transfers

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Poppy Di Pietro

, Andrew Kerridge

Ligand size dependence of U–N and U–O bond character in a series of uranyl hexaphyrin complexes: quantum chemical simulation and density based analysis

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A. Kerridge

Quantification of f-element covalency through analysis of the electron density: insights from simulation

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2016 Joseph P. W. Wellington, Andrew Kerridge

, Jonathan Austin, Nikolas Kaltsoyannis

Electronic structure of bulk AnO 2 (An = U, Np, Pu) and water adsorption on the (111) and (110) surfaces of UO 2 and PuO 2 from hybrid density functional theory within the periodic electrostatic embedded cluster method

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Eszter Makkos, Andrew Kerridge

, Jonathan Austin, Nikolas Kaltsoyannis

Ionic adsorption on the brucite (0001) surface: A periodic electrostatic embedded cluster method study

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Alasdair Formanuik, Ana-Maria Ariciu, Fabrizio Ortu, Reece Beekmeyer, Andrew Kerridge

, Floriana Tuna, Eric J. L. McInnes

, David P. Mills

Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy

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Izaak Fryer-Kanssen, Jonathan Austin, Andrew Kerridge

Topological Study of Bonding in Aquo and Bis(triazinyl)pyridine Complexes of Trivalent Lanthanides and Actinides: Does Covalency Imply Stability?

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Joseph P. W. Wellington, Andrew Kerridge

, Nikolas Kaltsoyannis

Should environmental effects be included when performing QTAIM calculations on actinide systems? A comparison of QTAIM metrics for Cs2UO2Cl4, U(Se2PPh2)4 and Np(Se2PPh2)4 in gas phase, COSMO and PEECM

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Alasdair Formanuik, Fabrizio Ortu, Reece Beekmeyer, Andrew Kerridge

, Ralph W. Adams

, David P. Mills

White phosphorus activation by a Th(III) complex

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Matthew Gregson, Erli Lu, Floriana Tuna, Eric J. L. McInnes, Christoph Hennig, Andreas C. Scheinost, Jonathan McMaster, William Lewis, Alexander J. Blake

, Andrew Kerridge

, Stephen T. Liddle

Emergence of Comparable Covalency in Isostructural Cerium(IV)- and Uranium(IV)-Carbon Multiple Bonds

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Poppy Di Pietro, Andrew Kerridge

Assessing covalency in equatorial U–N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranyl

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2015 Andrew C. Behrle, Andrew Kerridge

, Justin R. Walensky

Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity

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Andrew Kerridge

The Complete-Active-Space Self-Consistent-Field Approach and Its Application to Molecular Complexes of the f-Elements

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Thomas Pugh

, Andrew Kerridge

, Richard A. Layfield

Yttrium Complexes of Arsine, Arsenide, and Arsinidene Ligands

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Eszter Makkos, Andrew Kerridge

, Nikolas Kaltsoyannis

The importance of second shell effects in the simulation of hydrated Sr2+ hydroxide complexes

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2014 Sean D. Woodall, Adam N. Swinburne, Nidhu lal Banik, Nidhu lal Banik, Andrew Kerridge

, Poppy Di Pietro, Christian Adam, Peter Kaden

, Louise S. Natrajan

Neptunyl(VI) centred visible LMCT emission directly observable in the presence of uranyl(VI)

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Papers authored by Andy Kerridge